2-(3-methyl-4-nitroanilino)-N-propylpropanamide

C13H19N3O3 — CID 60969921

IUPAC2-(3-methyl-4-nitroanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C13H19N3O3/c1-4-7-14-13(17)10(3)15-11-5-6-12(16(18)19)9(2)8-11/h5-6,8,10,15H,4,7H2,1-3H3,(H,14,17)
InChIKeyLBZSNHZAUVVUOH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.23
Rot. Bonds6

About 2-(3-methyl-4-nitroanilino)-N-propylpropanamide

2-(3-methyl-4-nitroanilino)-N-propylpropanamide (PubChem CID 60969921) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3-methyl-4-nitroanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitroanilino)-N-propylpropanamide
PubChem CID60969921
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(3-methyl-4-nitroanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C13H19N3O3/c1-4-7-14-13(17)10(3)15-11-5-6-12(16(18)19)9(2)8-11/h5-6,8,10,15H,4,7H2,1-3H3,(H,14,17)
InChIKeyLBZSNHZAUVVUOH-UHFFFAOYSA-N
XLogP2.23
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.23
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

2-(3-cyano-4-nitroanilino)-N-propylpropanamide
CID 115500237
(2R)-N-tert-butyl-2-(3-methyl-4-nitroanilino)propanamide
CID 95904358
2-(3-methyl-4-nitroanilino)-N-phenylpropanamide
CID 133310966
N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide
CID 115573855
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
(2S)-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8648080
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-(5-cyano-2-nitroanilino)-N-propylpropanamide
CID 104713564
4-nitro-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82991891
N-(1-ethylsulfonylpropan-2-yl)-3-methyl-4-nitroaniline
CID 56789851
2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide
CID 80897022
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitroanilino)-N-propylpropanamide?
The IUPAC name of 2-(3-methyl-4-nitroanilino)-N-propylpropanamide (CID 60969921) is 2-(3-methyl-4-nitroanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(3-methyl-4-nitroanilino)-N-propylpropanamide?
The canonical SMILES for 2-(3-methyl-4-nitroanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-(3-methyl-4-nitroanilino)-N-propylpropanamide?
The InChIKey is LBZSNHZAUVVUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-7-14-13(17)10(3)15-11-5-6-12(16(18)19)9(2)8-11/h5-6,8,10,15H,4,7H2,1-3H3,(H,14,17).
What are the key properties of 2-(3-methyl-4-nitroanilino)-N-propylpropanamide?
2-(3-methyl-4-nitroanilino)-N-propylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitroanilino)-N-propylpropanamide is sourced from PubChem (CID 60969921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).