N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide

C16H27N3O — CID 61425903

IUPACN-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
SMILESCC(C)CCN(C)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C16H27N3O/c1-13(2)10-12-19(3)11-6-9-16(20)18-15-8-5-4-7-14(15)17/h4-5,7-8,13H,6,9-12,17H2,1-3H3,(H,18,20)
InChIKeyRNFBIWDJULGNAM-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.97
Rot. Bonds8

About N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide

N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide (PubChem CID 61425903) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
PubChem CID61425903
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
SMILESCC(C)CCN(C)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C16H27N3O/c1-13(2)10-12-19(3)11-6-9-16(20)18-15-8-5-4-7-14(15)17/h4-5,7-8,13H,6,9-12,17H2,1-3H3,(H,18,20)
InChIKeyRNFBIWDJULGNAM-UHFFFAOYSA-N
XLogP2.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide 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-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740
N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 43273334
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)
CID 163795898
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753701
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide?
The IUPAC name of N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide (CID 61425903) is N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide is CC(C)CCN(C)CCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide?
The InChIKey is RNFBIWDJULGNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)10-12-19(3)11-6-9-16(20)18-15-8-5-4-7-14(15)17/h4-5,7-8,13H,6,9-12,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide?
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide has a molecular weight of 277.41 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide is sourced from PubChem (CID 61425903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).