3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide

C12H18N2O4 — CID 114144862

IUPAC3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
SMILESCOc1ccc(NC(=O)C(CN)OC)cc1OC
InChIInChI=1S/C12H18N2O4/c1-16-9-5-4-8(6-10(9)17-2)14-12(15)11(7-13)18-3/h4-6,11H,7,13H2,1-3H3,(H,14,15)
InChIKeyDUOYSZVDPFSFLI-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.62
Rot. Bonds6

About 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide

3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide (PubChem CID 114144862) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
PubChem CID114144862
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
SMILESCOc1ccc(NC(=O)C(CN)OC)cc1OC
InChIInChI=1S/C12H18N2O4/c1-16-9-5-4-8(6-10(9)17-2)14-12(15)11(7-13)18-3/h4-6,11H,7,13H2,1-3H3,(H,14,15)
InChIKeyDUOYSZVDPFSFLI-UHFFFAOYSA-N
XLogP0.62
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide 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-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 106111011
4-[(3-amino-2-methoxypropanoyl)amino]benzamide
CID 106111050
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
CID 106111327
4-[(3-amino-2-methoxypropanoyl)amino]-2-methylbenzoic acid
CID 114145069
(3,4-dimethoxyphenyl)urea
CID 21197430
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide (CID 114144862) is 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide is COc1ccc(NC(=O)C(CN)OC)cc1OC.
What is the InChIKey of 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide?
The InChIKey is DUOYSZVDPFSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-9-5-4-8(6-10(9)17-2)14-12(15)11(7-13)18-3/h4-6,11H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide?
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide has a molecular weight of 254.29 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide is sourced from PubChem (CID 114144862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).