[(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium

C19H23N2O2+ — CID 2398171

IUPAC[(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium
SMILESCC(=O)Nc1ccc(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-14(22)20-17-11-9-16(10-12-17)19(23)18(21(2)3)13-15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,20,22)/p+1/t18-/m0/s1
InChIKeyWJCLGSTVIZZJES-SFHVURJKSA-O
MW311.41 g/mol
LogP1.58
Rot. Bonds6

About [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium

[(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium (PubChem CID 2398171) has the molecular formula C19H23N2O2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium.

Molecular Properties

Compound Name[(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium
PubChem CID2398171
Molecular FormulaC19H23N2O2+
Molecular Weight311.41 g/mol
Exact Mass311.18
IUPAC Name[(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium
SMILESCC(=O)Nc1ccc(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-14(22)20-17-11-9-16(10-12-17)19(23)18(21(2)3)13-15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,20,22)/p+1/t18-/m0/s1
InChIKeyWJCLGSTVIZZJES-SFHVURJKSA-O
XLogP1.58
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
CID 4534125
4-(4-acetamidophenyl)-3-bromo-4-oxobutanoic acid
CID 79786902
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
4-acetamido-N-[1-[cyano(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 87927250
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide
CID 141364621
2-(4-acetamidophenyl)sulfinyl-N-hydroxy-3-phenylpropanamide
CID 18416747
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium?
The IUPAC name of [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium (CID 2398171) is [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium.
What is the SMILES notation for [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium?
The canonical SMILES for [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium is CC(=O)Nc1ccc(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1.
What is the InChIKey of [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium?
The InChIKey is WJCLGSTVIZZJES-SFHVURJKSA-O. The full InChI is InChI=1S/C19H22N2O2/c1-14(22)20-17-11-9-16(10-12-17)19(23)18(21(2)3)13-15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,20,22)/p+1/t18-/m0/s1.
What are the key properties of [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium?
[(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium has a molecular weight of 311.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium is sourced from PubChem (CID 2398171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).