N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide

C23H22N2O3 — CID 7375059

IUPACN-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide
SMILESCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-16-12-14-18(15-13-16)22(26)25-21(17-8-4-3-5-9-17)23(27)24-19-10-6-7-11-20(19)28-2/h3-15,21H,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyZGLPJCAGLLNWOA-NRFANRHFSA-N
MW374.44 g/mol
LogP4.11
Rot. Bonds6

About N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide

N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide (PubChem CID 7375059) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide
PubChem CID7375059
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide
SMILESCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-16-12-14-18(15-13-16)22(26)25-21(17-8-4-3-5-9-17)23(27)24-19-10-6-7-11-20(19)28-2/h3-15,21H,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyZGLPJCAGLLNWOA-NRFANRHFSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391938
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391931
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
(2R)-2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-phenylacetamide
CID 2437719
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 9345172

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide?
The IUPAC name of N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide (CID 7375059) is N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide?
The canonical SMILES for N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide is COc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide?
The InChIKey is ZGLPJCAGLLNWOA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-12-14-18(15-13-16)22(26)25-21(17-8-4-3-5-9-17)23(27)24-19-10-6-7-11-20(19)28-2/h3-15,21H,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide?
N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylbenzamide is sourced from PubChem (CID 7375059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).