(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide

C22H21N3O4 — CID 9345172

IUPAC(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
SMILESCOc1ccccc1N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-15-12-13-17(19(14-15)25(27)28)24-22(26)21(16-8-4-3-5-9-16)23-18-10-6-7-11-20(18)29-2/h3-14,21,23H,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyLMVXXYKMHIOWHC-NRFANRHFSA-N
MW391.43 g/mol
LogP4.70
Rot. Bonds7

About (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide

(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide (PubChem CID 9345172) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
PubChem CID9345172
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
SMILESCOc1ccccc1N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-15-12-13-17(19(14-15)25(27)28)24-22(26)21(16-8-4-3-5-9-16)23-18-10-6-7-11-20(18)29-2/h3-14,21,23H,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyLMVXXYKMHIOWHC-NRFANRHFSA-N
XLogP4.70
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide 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

(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 7594261
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide
CID 9345509
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2,3-dimethoxybenzoate
CID 42963206
(2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide
CID 8894248
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
CID 45000518
2-methyl-3-[methyl-[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]amino]propanoic acid
CID 122120328
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
CID 7148291
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide (CID 9345172) is (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide is COc1ccccc1N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide?
The InChIKey is LMVXXYKMHIOWHC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-12-13-17(19(14-15)25(27)28)24-22(26)21(16-8-4-3-5-9-16)23-18-10-6-7-11-20(18)29-2/h3-14,21,23H,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide?
(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide has a molecular weight of 391.43 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide is sourced from PubChem (CID 9345172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).