(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide

C23H23N3O4 — CID 7594261

IUPAC(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
SMILESCCOc1ccc(N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4/c1-3-30-19-12-10-18(11-13-19)24-22(17-7-5-4-6-8-17)23(27)25-20-14-9-16(2)15-21(20)26(28)29/h4-15,22,24H,3H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyWMZCXEUSQYAPLR-JOCHJYFZSA-N
MW405.45 g/mol
LogP5.09
Rot. Bonds8

About (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide

(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide (PubChem CID 7594261) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
PubChem CID7594261
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
SMILESCCOc1ccc(N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4/c1-3-30-19-12-10-18(11-13-19)24-22(17-7-5-4-6-8-17)23(27)25-20-14-9-16(2)15-21(20)26(28)29/h4-15,22,24H,3H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyWMZCXEUSQYAPLR-JOCHJYFZSA-N
XLogP5.09
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 9345172
(2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide
CID 8894248
2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 16960159
N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
CID 2932932
[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 7775444
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 42963726
(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide
CID 7409386
[2-(dimethylamino)-2-oxoethyl]-methyl-[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]azanium
CID 8712168
[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 4-methylpentanoate
CID 7847991
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3-(4-methoxyphenyl)propanoate
CID 46795182
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide (CID 7594261) is (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide is CCOc1ccc(N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide?
The InChIKey is WMZCXEUSQYAPLR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-3-30-19-12-10-18(11-13-19)24-22(17-7-5-4-6-8-17)23(27)25-20-14-9-16(2)15-21(20)26(28)29/h4-15,22,24H,3H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide?
(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide has a molecular weight of 405.45 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide is sourced from PubChem (CID 7594261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).