N-(2,6-dimethylphenyl)azepane-2-carboxamide

C15H22N2O — CID 64562214

IUPACN-(2,6-dimethylphenyl)azepane-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCCCN1
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)17-15(18)13-9-4-3-5-10-16-13/h6-8,13,16H,3-5,9-10H2,1-2H3,(H,17,18)
InChIKeyAGQPSDXLUYLDNE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.77
Rot. Bonds2

About N-(2,6-dimethylphenyl)azepane-2-carboxamide

N-(2,6-dimethylphenyl)azepane-2-carboxamide (PubChem CID 64562214) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)azepane-2-carboxamide
PubChem CID64562214
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2,6-dimethylphenyl)azepane-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCCCN1
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)17-15(18)13-9-4-3-5-10-16-13/h6-8,13,16H,3-5,9-10H2,1-2H3,(H,17,18)
InChIKeyAGQPSDXLUYLDNE-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
CID 64562791
N-(2-methyl-6-propan-2-ylphenyl)piperidine-2-carboxamide
CID 10730082
N-(2,3,6-trimethylphenyl)piperidine-2-carboxamide
CID 155036949
(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
CID 104901241
N-(2,6-diethylphenyl)piperidine-2-carboxamide
CID 24706345
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
N-[2-(2,6-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 119326210
2-methyl-6-[[(2S)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 53360304
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119335151

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)azepane-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)azepane-2-carboxamide (CID 64562214) is N-(2,6-dimethylphenyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)azepane-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)azepane-2-carboxamide is Cc1cccc(C)c1NC(=O)C1CCCCCN1.
What is the InChIKey of N-(2,6-dimethylphenyl)azepane-2-carboxamide?
The InChIKey is AGQPSDXLUYLDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)17-15(18)13-9-4-3-5-10-16-13/h6-8,13,16H,3-5,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(2,6-dimethylphenyl)azepane-2-carboxamide?
N-(2,6-dimethylphenyl)azepane-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)azepane-2-carboxamide is sourced from PubChem (CID 64562214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).