N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide

C25H28N2O — CID 24954832

IUPACN-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
SMILESCc1ccc([C@H](CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O/c1-19-9-11-22(12-10-19)24(17-18-27(2)3)26-25(28)23-15-13-21(14-16-23)20-7-5-4-6-8-20/h4-16,24H,17-18H2,1-3H3,(H,26,28)/t24-/m0/s1
InChIKeyPKZUKNKGFLPJNY-DEOSSOPVSA-N
MW372.51 g/mol
LogP5.08
Rot. Bonds7

About N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide

N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide (PubChem CID 24954832) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
PubChem CID24954832
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
SMILESCc1ccc([C@H](CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O/c1-19-9-11-22(12-10-19)24(17-18-27(2)3)26-25(28)23-15-13-21(14-16-23)20-7-5-4-6-8-20/h4-16,24H,17-18H2,1-3H3,(H,26,28)/t24-/m0/s1
InChIKeyPKZUKNKGFLPJNY-DEOSSOPVSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide 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-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylbenzamide
CID 24953415
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 15983561
4-(4-chlorophenyl)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride
CID 45481577
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide
CID 24953762
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
CID 11574190
N-[2-benzamido-2-(4-phenylphenyl)ethyl]benzamide
CID 139256665
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide?
The IUPAC name of N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide (CID 24954832) is N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide?
The canonical SMILES for N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide is Cc1ccc([C@H](CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide?
The InChIKey is PKZUKNKGFLPJNY-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O/c1-19-9-11-22(12-10-19)24(17-18-27(2)3)26-25(28)23-15-13-21(14-16-23)20-7-5-4-6-8-20/h4-16,24H,17-18H2,1-3H3,(H,26,28)/t24-/m0/s1.
What are the key properties of N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide?
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide has a molecular weight of 372.51 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide is sourced from PubChem (CID 24954832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).