4-(azepan-1-ylmethyl)-N-propylbenzamide

C17H26N2O — CID 43924202

IUPAC4-(azepan-1-ylmethyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-11-18-17(20)16-9-7-15(8-10-16)14-19-12-5-3-4-6-13-19/h7-10H,2-6,11-14H2,1H3,(H,18,20)
InChIKeyDCMNERSLBMBTRI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds5

About 4-(azepan-1-ylmethyl)-N-propylbenzamide

4-(azepan-1-ylmethyl)-N-propylbenzamide (PubChem CID 43924202) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-propylbenzamide
PubChem CID43924202
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(azepan-1-ylmethyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-11-18-17(20)16-9-7-15(8-10-16)14-19-12-5-3-4-6-13-19/h7-10H,2-6,11-14H2,1H3,(H,18,20)
InChIKeyDCMNERSLBMBTRI-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 23090890
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide
CID 43924194
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 17422605
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-propylbenzamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-propylbenzamide (CID 43924202) is 4-(azepan-1-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-propylbenzamide is CCCNC(=O)c1ccc(CN2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-propylbenzamide?
The InChIKey is DCMNERSLBMBTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-11-18-17(20)16-9-7-15(8-10-16)14-19-12-5-3-4-6-13-19/h7-10H,2-6,11-14H2,1H3,(H,18,20).
What are the key properties of 4-(azepan-1-ylmethyl)-N-propylbenzamide?
4-(azepan-1-ylmethyl)-N-propylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.20, 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-propylbenzamide is sourced from PubChem (CID 43924202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).