N-(azepan-4-yl)-2,3-dimethylbenzamide

C15H22N2O — CID 105060973

IUPACN-(azepan-4-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC2CCCNCC2)c1C
InChIInChI=1S/C15H22N2O/c1-11-5-3-7-14(12(11)2)15(18)17-13-6-4-9-16-10-8-13/h3,5,7,13,16H,4,6,8-10H2,1-2H3,(H,17,18)
InChIKeyMIPLNUWPJKZYQB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds2

About N-(azepan-4-yl)-2,3-dimethylbenzamide

N-(azepan-4-yl)-2,3-dimethylbenzamide (PubChem CID 105060973) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(azepan-4-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2,3-dimethylbenzamide
PubChem CID105060973
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(azepan-4-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC2CCCNCC2)c1C
InChIInChI=1S/C15H22N2O/c1-11-5-3-7-14(12(11)2)15(18)17-13-6-4-9-16-10-8-13/h3,5,7,13,16H,4,6,8-10H2,1-2H3,(H,17,18)
InChIKeyMIPLNUWPJKZYQB-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

2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
CID 143582754
N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
N-(azepan-4-yl)-1H-indole-4-carboxamide
CID 107172324
2-methyl-3-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386306
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dimethylbenzamide
CID 43603844
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2,3-dimethylbenzamide?
The IUPAC name of N-(azepan-4-yl)-2,3-dimethylbenzamide (CID 105060973) is N-(azepan-4-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(azepan-4-yl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(azepan-4-yl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC2CCCNCC2)c1C.
What is the InChIKey of N-(azepan-4-yl)-2,3-dimethylbenzamide?
The InChIKey is MIPLNUWPJKZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-3-7-14(12(11)2)15(18)17-13-6-4-9-16-10-8-13/h3,5,7,13,16H,4,6,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(azepan-4-yl)-2,3-dimethylbenzamide?
N-(azepan-4-yl)-2,3-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)-2,3-dimethylbenzamide is sourced from PubChem (CID 105060973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).