N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide

C16H24N2O — CID 64562791

IUPACN-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCCCCN1
InChIInChI=1S/C16H24N2O/c1-3-13-9-7-8-12(2)15(13)18-16(19)14-10-5-4-6-11-17-14/h7-9,14,17H,3-6,10-11H2,1-2H3,(H,18,19)
InChIKeyOYKZKOFBGVAGNX-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.03
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide

N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide (PubChem CID 64562791) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
PubChem CID64562791
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCCCCN1
InChIInChI=1S/C16H24N2O/c1-3-13-9-7-8-12(2)15(13)18-16(19)14-10-5-4-6-11-17-14/h7-9,14,17H,3-6,10-11H2,1-2H3,(H,18,19)
InChIKeyOYKZKOFBGVAGNX-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
N-(2,6-diethylphenyl)piperidine-2-carboxamide
CID 24706345
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-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24691130
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
N-[2-(2,6-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 119326210
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-ethyl-6-methylphenyl)azepane-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide (CID 64562791) is N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide is CCc1cccc(C)c1NC(=O)C1CCCCCN1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide?
The InChIKey is OYKZKOFBGVAGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13-9-7-8-12(2)15(13)18-16(19)14-10-5-4-6-11-17-14/h7-9,14,17H,3-6,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide?
N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide is sourced from PubChem (CID 64562791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).