ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide

C23H24N2O3 — CID 143201282

IUPACethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
SMILESCC.Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O3.C2H6/c1-15-12-13-18(14-19(15)23(25)26)22-21(24)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-2/h2-14,20H,1H3,(H,22,24);1-2H3
InChIKeyIJIFIVYOQIMKKO-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.70
Rot. Bonds5

About ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide

ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide (PubChem CID 143201282) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide.

Molecular Properties

Compound Nameethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
PubChem CID143201282
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Nameethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
SMILESCC.Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O3.C2H6/c1-15-12-13-18(14-19(15)23(25)26)22-21(24)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-2/h2-14,20H,1H3,(H,22,24);1-2H3
InChIKeyIJIFIVYOQIMKKO-UHFFFAOYSA-N
XLogP5.70
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide 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

2,3-dimethyl-4-(4-methyl-3-nitroanilino)-4-oxobutanoic acid
CID 103496212
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
4-methyl-3-nitro-N-(1-phenylethyl)aniline
CID 11572424
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
N-(4-methyl-3-nitrophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60553956
N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylacetamide
CID 2206801
2-(4-methyl-3-nitroanilino)-1-phenylethanol
CID 60720529
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
CID 6611556
(3S)-N-(4-methyl-3-nitrophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004794
3-hydroxy-2-[(4-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 61184675

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide?
The IUPAC name of ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide (CID 143201282) is ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide.
What is the SMILES notation for ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide?
The canonical SMILES for ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide is CC.Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide?
The InChIKey is IJIFIVYOQIMKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3.C2H6/c1-15-12-13-18(14-19(15)23(25)26)22-21(24)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-2/h2-14,20H,1H3,(H,22,24);1-2H3.
What are the key properties of ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide?
ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide has a molecular weight of 376.46 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide is sourced from PubChem (CID 143201282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).