3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

C14H22N2O3 — CID 60835659

IUPAC3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CC(C)N)cc1OC
InChIInChI=1S/C14H22N2O3/c1-10(15)8-14(17)16-7-6-11-4-5-12(18-2)13(9-11)19-3/h4-5,9-10H,6-8,15H2,1-3H3,(H,16,17)
InChIKeyHGNDVGSQUMXLCJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.10
Rot. Bonds7

About 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide (PubChem CID 60835659) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
PubChem CID60835659
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CC(C)N)cc1OC
InChIInChI=1S/C14H22N2O3/c1-10(15)8-14(17)16-7-6-11-4-5-12(18-2)13(9-11)19-3/h4-5,9-10H,6-8,15H2,1-3H3,(H,16,17)
InChIKeyHGNDVGSQUMXLCJ-UHFFFAOYSA-N
XLogP1.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-(3,4-dimethoxyphenyl)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-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
CID 162388053
3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115154307
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
(3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide
CID 41244831
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786
3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115154347
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide (CID 60835659) is 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide is COc1ccc(CCNC(=O)CC(C)N)cc1OC.
What is the InChIKey of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
The InChIKey is HGNDVGSQUMXLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(15)8-14(17)16-7-6-11-4-5-12(18-2)13(9-11)19-3/h4-5,9-10H,6-8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 60835659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).