N-(4-acetylphenyl)-3-amino-2-phenylpropanamide

C17H18N2O2 — CID 62877329

IUPACN-(4-acetylphenyl)-3-amino-2-phenylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(CN)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c1-12(20)13-7-9-15(10-8-13)19-17(21)16(11-18)14-5-3-2-4-6-14/h2-10,16H,11,18H2,1H3,(H,19,21)
InChIKeyLPPCKZJVJOVUDB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.57
Rot. Bonds5

About N-(4-acetylphenyl)-3-amino-2-phenylpropanamide

N-(4-acetylphenyl)-3-amino-2-phenylpropanamide (PubChem CID 62877329) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-amino-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-amino-2-phenylpropanamide
PubChem CID62877329
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(4-acetylphenyl)-3-amino-2-phenylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(CN)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c1-12(20)13-7-9-15(10-8-13)19-17(21)16(11-18)14-5-3-2-4-6-14/h2-10,16H,11,18H2,1H3,(H,19,21)
InChIKeyLPPCKZJVJOVUDB-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride
CID 119703080
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
(2S)-N-(4-acetylphenyl)-2-(benzhydrylamino)propanamide
CID 7516109
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
3-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-phenylpropanamide
CID 62876785
3-amino-N-(2-ethylphenyl)-2-phenylpropanamide
CID 62878156
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
CID 107574522

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-amino-2-phenylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-3-amino-2-phenylpropanamide (CID 62877329) is N-(4-acetylphenyl)-3-amino-2-phenylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-amino-2-phenylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-amino-2-phenylpropanamide is CC(=O)c1ccc(NC(=O)C(CN)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-amino-2-phenylpropanamide?
The InChIKey is LPPCKZJVJOVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(20)13-7-9-15(10-8-13)19-17(21)16(11-18)14-5-3-2-4-6-14/h2-10,16H,11,18H2,1H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-3-amino-2-phenylpropanamide?
N-(4-acetylphenyl)-3-amino-2-phenylpropanamide has a molecular weight of 282.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-amino-2-phenylpropanamide is sourced from PubChem (CID 62877329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).