N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide

C19H23N3O3 — CID 16962812

IUPACN-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-13(2)15-8-6-7-14(3)19(15)21-18(23)11-12-20-16-9-4-5-10-17(16)22(24)25/h4-10,13,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyFCAXFJMTRGXUDX-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.47
Rot. Bonds7

About N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide

N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide (PubChem CID 16962812) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide
PubChem CID16962812
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-13(2)15-8-6-7-14(3)19(15)21-18(23)11-12-20-16-9-4-5-10-17(16)22(24)25/h4-10,13,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyFCAXFJMTRGXUDX-UHFFFAOYSA-N
XLogP4.47
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.47
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'}

Analyze N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide 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

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2-nitroanilino)propanamide
CID 51328296
methyl 2-[[3-(2-methyl-6-propan-2-ylanilino)-3-oxopropyl]amino]benzoate
CID 109037172
N-[2,6-di(propan-2-yl)phenyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 55406333
N-(5-fluoro-2-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16962362
N-[2-methyl-5-(propanoylamino)phenyl]-3-(2-nitroanilino)propanamide
CID 46478294
3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109037212
3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109019326
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-nitrobenzamide
CID 957054
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
2-(2-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008141
3-methyl-2-[3-(2-nitroanilino)propanoylamino]butanoic acid
CID 119169891
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024299

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide (CID 16962812) is N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide is Cc1cccc(C(C)C)c1NC(=O)CCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide?
The InChIKey is FCAXFJMTRGXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)15-8-6-7-14(3)19(15)21-18(23)11-12-20-16-9-4-5-10-17(16)22(24)25/h4-10,13,20H,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide?
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide has a molecular weight of 341.41 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 16962812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).