4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide

C21H26N2O2 — CID 43920267

IUPAC4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-5-4-8-19(20)22-21(24)18-12-10-17(11-13-18)16-23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24)
InChIKeyZQYKJOBQKQFKJQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.32
Rot. Bonds5

About 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide

4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide (PubChem CID 43920267) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
PubChem CID43920267
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-5-4-8-19(20)22-21(24)18-12-10-17(11-13-18)16-23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24)
InChIKeyZQYKJOBQKQFKJQ-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)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

4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 41453944
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 28636465
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111087104
4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
CID 1223749
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 28579384
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide (CID 43920267) is 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide?
The InChIKey is ZQYKJOBQKQFKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-9-5-4-8-19(20)22-21(24)18-12-10-17(11-13-18)16-23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24).
What are the key properties of 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide?
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 43920267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).