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

C22H28N2O — CID 43919325

IUPAC4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C22H28N2O/c1-2-19-9-5-6-10-21(19)23-22(25)20-13-11-18(12-14-20)17-24-15-7-3-4-8-16-24/h5-6,9-14H,2-4,7-8,15-17H2,1H3,(H,23,25)
InChIKeyBLOGGEMKNNZJNX-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.88
Rot. Bonds5

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

4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide (PubChem CID 43919325) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
PubChem CID43919325
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C22H28N2O/c1-2-19-9-5-6-10-21(19)23-22(25)20-13-11-18(12-14-20)17-24-15-7-3-4-8-16-24/h5-6,9-14H,2-4,7-8,15-17H2,1H3,(H,23,25)
InChIKeyBLOGGEMKNNZJNX-UHFFFAOYSA-N
XLogP4.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 41453944
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
CID 53135720
N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 43921389
4-(azepan-1-ylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43924817

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide (CID 43919325) is 4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide?
The InChIKey is BLOGGEMKNNZJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-19-9-5-6-10-21(19)23-22(25)20-13-11-18(12-14-20)17-24-15-7-3-4-8-16-24/h5-6,9-14H,2-4,7-8,15-17H2,1H3,(H,23,25).
What are the key properties of 4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide?
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide has a molecular weight of 336.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 43919325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).