N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide

C23H22N2O2 — CID 34056194

IUPACN-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide
SMILESCc1ccc(C)c(N[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-16-13-14-17(2)20(15-16)24-22(21(26)18-9-5-3-6-10-18)25-23(27)19-11-7-4-8-12-19/h3-15,22,24H,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyPLHSGXWFMTWGLG-JOCHJYFZSA-N
MW358.44 g/mol
LogP4.35
Rot. Bonds6

About N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide

N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide (PubChem CID 34056194) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide
PubChem CID34056194
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide
SMILESCc1ccc(C)c(N[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-16-13-14-17(2)20(15-16)24-22(21(26)18-9-5-3-6-10-18)25-23(27)19-11-7-4-8-12-19/h3-15,22,24H,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyPLHSGXWFMTWGLG-JOCHJYFZSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]benzamide
CID 1089488
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
CID 765686
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 1085147
N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287
ethyl N-[1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 45155644
ethyl N-[(1S)-1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 35580456
2-bromo-N-(2,5-dimethylphenyl)-3-oxo-3-phenylpropanamide
CID 20762654
(2S)-2-(2,5-dimethylanilino)-4-oxo-4-phenylbutanoic acid
CID 748199
4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
CID 978938
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 7329890

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide (CID 34056194) is N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide is Cc1ccc(C)c(N[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide?
The InChIKey is PLHSGXWFMTWGLG-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-13-14-17(2)20(15-16)24-22(21(26)18-9-5-3-6-10-18)25-23(27)19-11-7-4-8-12-19/h3-15,22,24H,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide?
N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 34056194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).