N-(2-aminophenyl)-3-ethylpentanamide

C13H20N2O — CID 119422237

IUPACN-(2-aminophenyl)-3-ethylpentanamide
SMILESCCC(CC)CC(=O)Nc1ccccc1N
InChIInChI=1S/C13H20N2O/c1-3-10(4-2)9-13(16)15-12-8-6-5-7-11(12)14/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyAIJSHTYUGLGWGO-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.03
Rot. Bonds5

About N-(2-aminophenyl)-3-ethylpentanamide

N-(2-aminophenyl)-3-ethylpentanamide (PubChem CID 119422237) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-ethylpentanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-ethylpentanamide
PubChem CID119422237
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-aminophenyl)-3-ethylpentanamide
SMILESCCC(CC)CC(=O)Nc1ccccc1N
InChIInChI=1S/C13H20N2O/c1-3-10(4-2)9-13(16)15-12-8-6-5-7-11(12)14/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyAIJSHTYUGLGWGO-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-3-ethylpentanamide 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

Acetanilide
CID 904
2-Methylacetanilide
CID 12107
4-Aminoacetanilide
CID 31230
3-Methylquinoxalin-2-ol
CID 26384
N-Phenylbutanamide
CID 14323
N1-(2-aminophenyl)-N8-phenyloctanediamide
CID 9543540
Hexanilide
CID 12118
Isobutyranilide
CID 20436
Valeranilide
CID 82501
N-(3-methylphenyl)cyclopentanecarboxamide
CID 531884
3-Ethylquinoxalin-2(1H)-one
CID 599963
1H-1,5-Benzodiazepin-2-one, 2,3,4,5-tetrahydro-4-methyl-
CID 19868

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-ethylpentanamide?
The IUPAC name of N-(2-aminophenyl)-3-ethylpentanamide (CID 119422237) is N-(2-aminophenyl)-3-ethylpentanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-ethylpentanamide?
The canonical SMILES for N-(2-aminophenyl)-3-ethylpentanamide is CCC(CC)CC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-ethylpentanamide?
The InChIKey is AIJSHTYUGLGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-10(4-2)9-13(16)15-12-8-6-5-7-11(12)14/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-aminophenyl)-3-ethylpentanamide?
N-(2-aminophenyl)-3-ethylpentanamide has a molecular weight of 220.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-ethylpentanamide is sourced from PubChem (CID 119422237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).