(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide

C17H19N3O3 — CID 9274186

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H19N3O3/c1-11-7-8-12(2)16(9-11)19-17(21)13(3)18-14-5-4-6-15(10-14)20(22)23/h4-10,13,18H,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyRLTZOZMAVABVON-CYBMUJFWSA-N
MW313.36 g/mol
LogP3.65
Rot. Bonds5

About (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide

(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide (PubChem CID 9274186) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
PubChem CID9274186
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H19N3O3/c1-11-7-8-12(2)16(9-11)19-17(21)13(3)18-14-5-4-6-15(10-14)20(22)23/h4-10,13,18H,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyRLTZOZMAVABVON-CYBMUJFWSA-N
XLogP3.65
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 9274223
2-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide
CID 9345580
N-tert-butyl-2-(3-nitroanilino)propanamide
CID 115573854
(2S)-N-[(4-methylphenyl)methyl]-2-(3-nitroanilino)propanamide
CID 9274324
(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
CID 9345649
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
3-methyl-N-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]benzamide
CID 9040600
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide
CID 78783908
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-(3-nitrophenyl)propanamide
CID 2466995
(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide
CID 9345509

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide (CID 9274186) is (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide is Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide?
The InChIKey is RLTZOZMAVABVON-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-7-8-12(2)16(9-11)19-17(21)13(3)18-14-5-4-6-15(10-14)20(22)23/h4-10,13,18H,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide?
(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide has a molecular weight of 313.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide is sourced from PubChem (CID 9274186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).