N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide

C13H19N3O3 — CID 79196522

IUPACN-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCCc1ccc(NC(=O)C(C)CNC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-10-5-6-11(7-12(10)16(18)19)15-13(17)9(2)8-14-3/h5-7,9,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyLCAZOZNUPLDCAJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.95
Rot. Bonds6

About N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide

N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 79196522) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID79196522
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCCc1ccc(NC(=O)C(C)CNC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-10-5-6-11(7-12(10)16(18)19)15-13(17)9(2)8-14-3/h5-7,9,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyLCAZOZNUPLDCAJ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)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-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79195599
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide
CID 86925247
(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
CID 103928945
(2S)-2-methyl-N-[4-[[(2R)-2-methylbutanoyl]amino]-3-nitrophenyl]butanamide
CID 7233020
2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572
2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
CID 62472666
2-(4-ethyl-3-nitroanilino)propanoic acid
CID 66172517
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
N-[1-(4-ethyl-3-nitroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86925253
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
4-(4-ethyl-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992988

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide (CID 79196522) is N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide is CCc1ccc(NC(=O)C(C)CNC)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is LCAZOZNUPLDCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-10-5-6-11(7-12(10)16(18)19)15-13(17)9(2)8-14-3/h5-7,9,14H,4,8H2,1-3H3,(H,15,17).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79196522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).