N-Ethyl-3-phenylpropanamide - CAS 81256-39-5
Catalog: |
BB065700 |
Product Name: |
N-Ethyl-3-phenylpropanamide |
CAS: |
81256-39-5 |
Synonyms: |
N-ethyl-3-phenylpropanamide; N-Ethylbenzenepropanamide; Propanamide, 3-phenyl-N-ethyl- |
IUPAC Name: | N-ethyl-3-phenylpropanamide |
Molecular Weight: | 177.24 |
Molecular Formula: | C11H15NO |
Canonical SMILES: | CCNC(=O)CCC1=CC=CC=C1 |
InChI: | InChI=1S/C11H15NO/c1-2-12-11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13) |
InChI Key: | CUZZVRKUMNZZAY-UHFFFAOYSA-N |
References: | Bouvier, M., et al. Gastroenterol. Clin. Biol., 16, 334 (1992), Mitchell, S., et al. Aliment. Pharmacol. Ther., 16, 1187 (2002), Hayase, M., et al. Br. J. Pharmacol., 152, 1228 (2007),. |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.115364102 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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