3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide

C23H28N2O3 — CID 109055466

IUPAC3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C23H28N2O3/c1-28-21-12-5-4-9-18(21)13-14-24-22(26)19-10-8-11-20(17-19)23(27)25-15-6-2-3-7-16-25/h4-5,8-12,17H,2-3,6-7,13-16H2,1H3,(H,24,26)
InChIKeyAAQLQZKNGNNVLB-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.68
Rot. Bonds6

About 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide

3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 109055466) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID109055466
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C23H28N2O3/c1-28-21-12-5-4-9-18(21)13-14-24-22(26)19-10-8-11-20(17-19)23(27)25-15-6-2-3-7-16-25/h4-5,8-12,17H,2-3,6-7,13-16H2,1H3,(H,24,26)
InChIKeyAAQLQZKNGNNVLB-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide 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-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
2-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088111
3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463
N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
CID 109052000
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104421
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109046351
3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 7686029
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109104558

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 109055466) is 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1CCNC(=O)c1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is AAQLQZKNGNNVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-28-21-12-5-4-9-18(21)13-14-24-22(26)19-10-8-11-20(17-19)23(27)25-15-6-2-3-7-16-25/h4-5,8-12,17H,2-3,6-7,13-16H2,1H3,(H,24,26).
What are the key properties of 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 109055466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).