4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide

C15H24N2O4 — CID 120587964

IUPAC4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
SMILESCOc1ccc(OC)c(CCNC(=O)CC(CN)OC)c1
InChIInChI=1S/C15H24N2O4/c1-19-12-4-5-14(21-3)11(8-12)6-7-17-15(18)9-13(10-16)20-2/h4-5,8,13H,6-7,9-10,16H2,1-3H3,(H,17,18)
InChIKeyDUQMBOVQYQHQHF-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.73
Rot. Bonds9

About 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide

4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide (PubChem CID 120587964) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
PubChem CID120587964
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
SMILESCOc1ccc(OC)c(CCNC(=O)CC(CN)OC)c1
InChIInChI=1S/C15H24N2O4/c1-19-12-4-5-14(21-3)11(8-12)6-7-17-15(18)9-13(10-16)20-2/h4-5,8,13H,6-7,9-10,16H2,1-3H3,(H,17,18)
InChIKeyDUQMBOVQYQHQHF-UHFFFAOYSA-N
XLogP0.73
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide 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

(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120594092
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587300
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667021
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide (CID 120587964) is 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide is COc1ccc(OC)c(CCNC(=O)CC(CN)OC)c1.
What is the InChIKey of 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide?
The InChIKey is DUQMBOVQYQHQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-19-12-4-5-14(21-3)11(8-12)6-7-17-15(18)9-13(10-16)20-2/h4-5,8,13H,6-7,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide?
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide has a molecular weight of 296.37 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide is sourced from PubChem (CID 120587964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).