4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide

C14H22N2O — CID 81087139

IUPAC4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
SMILESCc1ccccc1C(C)NC(=O)CC(C)CN
InChIInChI=1S/C14H22N2O/c1-10(9-15)8-14(17)16-12(3)13-7-5-4-6-11(13)2/h4-7,10,12H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyFYMICZNAWHPHOI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds5

About 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide

4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide (PubChem CID 81087139) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
PubChem CID81087139
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
SMILESCc1ccccc1C(C)NC(=O)CC(C)CN
InChIInChI=1S/C14H22N2O/c1-10(9-15)8-14(17)16-12(3)13-7-5-4-6-11(13)2/h4-7,10,12H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyFYMICZNAWHPHOI-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]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

3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81380310
2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
CID 107472507
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81374264

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide (CID 81087139) is 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide is Cc1ccccc1C(C)NC(=O)CC(C)CN.
What is the InChIKey of 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide?
The InChIKey is FYMICZNAWHPHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(9-15)8-14(17)16-12(3)13-7-5-4-6-11(13)2/h4-7,10,12H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide?
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 81087139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).