3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide

C17H26N2O3 — CID 109033634

IUPAC3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCCCCC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-21-15-8-7-14(13-16(15)22-2)18-17(20)9-12-19-10-5-3-4-6-11-19/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20)
InChIKeyLMMUPNMUAPTTQU-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.91
Rot. Bonds6

About 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide

3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 109033634) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID109033634
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCCCCC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-21-15-8-7-14(13-16(15)22-2)18-17(20)9-12-19-10-5-3-4-6-11-19/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20)
InChIKeyLMMUPNMUAPTTQU-UHFFFAOYSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide 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-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 119419850
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117763
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide (CID 109033634) is 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN2CCCCCC2)cc1OC.
What is the InChIKey of 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is LMMUPNMUAPTTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-15-8-7-14(13-16(15)22-2)18-17(20)9-12-19-10-5-3-4-6-11-19/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109033634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).