Synonyms: 4-phenyl-2-propionamidotetraline | N-(4-phenyltetralin-2-yl)propanamide
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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2
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Hydrogen bond donors
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1
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Rotatable bonds
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4
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Topological polar surface area
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29.1
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Molecular weight
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279.16
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XLogP
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3.56
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No. Lipinski's rules broken
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0
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1
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Isomeric SMILES
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CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1
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InChI
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InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
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InChI Key
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RCYLUNPFECYGDW-UHFFFAOYSA-N
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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