4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide

C15H24N2O4 — CID 81084192

IUPAC4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CC(C)CN
InChIInChI=1S/C15H24N2O4/c1-10(8-16)5-15(18)17-9-11-6-13(20-3)14(21-4)7-12(11)19-2/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyHGPBUHSWAAOILS-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.31
Rot. Bonds8

About 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide

4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide (PubChem CID 81084192) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
PubChem CID81084192
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CC(C)CN
InChIInChI=1S/C15H24N2O4/c1-10(8-16)5-15(18)17-9-11-6-13(20-3)14(21-4)7-12(11)19-2/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyHGPBUHSWAAOILS-UHFFFAOYSA-N
XLogP1.31
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)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

4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
CID 119690656
4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
CID 115156350
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate
CID 27893431
4-amino-3-methyl-1-(2,4,5-trimethoxyphenyl)butan-1-one
CID 116916153

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide (CID 81084192) is 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide is COc1cc(OC)c(OC)cc1CNC(=O)CC(C)CN.
What is the InChIKey of 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide?
The InChIKey is HGPBUHSWAAOILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(8-16)5-15(18)17-9-11-6-13(20-3)14(21-4)7-12(11)19-2/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide?
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide has a molecular weight of 296.37 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 81084192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).