4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide

C22H26N2O3 — CID 109047377

IUPAC4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-27-20-9-5-4-8-19(20)16-23-21(25)17-10-12-18(13-11-17)22(26)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,23,25)
InChIKeyKZWPXIKJYHCXMJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.64
Rot. Bonds5

About 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide

4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 109047377) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID109047377
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-27-20-9-5-4-8-19(20)16-23-21(25)17-10-12-18(13-11-17)22(26)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,23,25)
InChIKeyKZWPXIKJYHCXMJ-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872473
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
3-(4-formylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109053757
3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872341
N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158381
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide (CID 109047377) is 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is KZWPXIKJYHCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-9-5-4-8-19(20)16-23-21(25)17-10-12-18(13-11-17)22(26)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,23,25).
What are the key properties of 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide?
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 109047377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).