2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide

C14H21N3O4 — CID 60937652

IUPAC2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
SMILESCOc1ccc(CN(C)C(=O)C(N)CC(N)=O)cc1OC
InChIInChI=1S/C14H21N3O4/c1-17(14(19)10(15)7-13(16)18)8-9-4-5-11(20-2)12(6-9)21-3/h4-6,10H,7-8,15H2,1-3H3,(H2,16,18)
InChIKeyXFUFMLCXPUAUOR-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.14
Rot. Bonds7

About 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide

2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide (PubChem CID 60937652) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
PubChem CID60937652
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
SMILESCOc1ccc(CN(C)C(=O)C(N)CC(N)=O)cc1OC
InChIInChI=1S/C14H21N3O4/c1-17(14(19)10(15)7-13(16)18)8-9-4-5-11(20-2)12(6-9)21-3/h4-6,10H,7-8,15H2,1-3H3,(H2,16,18)
InChIKeyXFUFMLCXPUAUOR-UHFFFAOYSA-N
XLogP-0.14
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide 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-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
CID 119285861
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
CID 60938031
2-amino-N-methyl-N-(pyridin-4-ylmethyl)butanediamide
CID 54928061
(2S)-2-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119766961
2-amino-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 61259468
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 79814208

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide?
The IUPAC name of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide (CID 60937652) is 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide is COc1ccc(CN(C)C(=O)C(N)CC(N)=O)cc1OC.
What is the InChIKey of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide?
The InChIKey is XFUFMLCXPUAUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-17(14(19)10(15)7-13(16)18)8-9-4-5-11(20-2)12(6-9)21-3/h4-6,10H,7-8,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide?
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide has a molecular weight of 295.34 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide is sourced from PubChem (CID 60937652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).