N-(azepan-4-yl)-2,4-dimethylbenzamide

C15H22N2O — CID 105058394

IUPACN-(azepan-4-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCCNCC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-14(12(2)10-11)15(18)17-13-4-3-8-16-9-7-13/h5-6,10,13,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyUTBYULIKHCCAPM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds2

About N-(azepan-4-yl)-2,4-dimethylbenzamide

N-(azepan-4-yl)-2,4-dimethylbenzamide (PubChem CID 105058394) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(azepan-4-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2,4-dimethylbenzamide
PubChem CID105058394
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(azepan-4-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCCNCC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-14(12(2)10-11)15(18)17-13-4-3-8-16-9-7-13/h5-6,10,13,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyUTBYULIKHCCAPM-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-(azepan-4-yl)-2,4-dimethylbenzamide (CID 105058394) is N-(azepan-4-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(azepan-4-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(azepan-4-yl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC2CCCNCC2)c(C)c1.
What is the InChIKey of N-(azepan-4-yl)-2,4-dimethylbenzamide?
The InChIKey is UTBYULIKHCCAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-6-14(12(2)10-11)15(18)17-13-4-3-8-16-9-7-13/h5-6,10,13,16H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(azepan-4-yl)-2,4-dimethylbenzamide?
N-(azepan-4-yl)-2,4-dimethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 105058394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).