2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide

C15H24N2O3 — CID 79805617

IUPAC2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-6-15(3,16)14(18)17-10(2)11-7-8-12(19-4)13(9-11)20-5/h7-10H,6,16H2,1-5H3,(H,17,18)
InChIKeyLXOAIPOHZMSBCS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.01
Rot. Bonds6

About 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide

2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide (PubChem CID 79805617) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide
PubChem CID79805617
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-6-15(3,16)14(18)17-10(2)11-7-8-12(19-4)13(9-11)20-5/h7-10H,6,16H2,1-5H3,(H,17,18)
InChIKeyLXOAIPOHZMSBCS-UHFFFAOYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide 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-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 63664640
2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119721271
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
methyl 3-[1-(3,4-dimethoxyphenyl)ethylamino]-2,2-dimethylpropanoate
CID 79621340
methyl 2-[1-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 115353213
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 81489289
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide (CID 79805617) is 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide is CCC(C)(N)C(=O)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide?
The InChIKey is LXOAIPOHZMSBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-15(3,16)14(18)17-10(2)11-7-8-12(19-4)13(9-11)20-5/h7-10H,6,16H2,1-5H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide?
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 79805617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).