3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide

C13H20N2O2 — CID 115154159

IUPAC3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CC(C)N)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-6-11(4-5-12(9)17-3)8-15-13(16)7-10(2)14/h4-6,10H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyGONFZHUTLLHHQG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.36
Rot. Bonds5

About 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide

3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide (PubChem CID 115154159) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
PubChem CID115154159
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CC(C)N)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-6-11(4-5-12(9)17-3)8-15-13(16)7-10(2)14/h4-6,10H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyGONFZHUTLLHHQG-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]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-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704
3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115154214
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide
CID 115154202
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115154307

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide (CID 115154159) is 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide is COc1ccc(CNC(=O)CC(C)N)cc1C.
What is the InChIKey of 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide?
The InChIKey is GONFZHUTLLHHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-11(4-5-12(9)17-3)8-15-13(16)7-10(2)14/h4-6,10H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide?
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 115154159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).