N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide

C15H28N2O — CID 64570961

IUPACN-(2,4-dimethylcyclohexyl)azepane-2-carboxamide
SMILESCC1CCC(NC(=O)C2CCCCCN2)C(C)C1
InChIInChI=1S/C15H28N2O/c1-11-7-8-13(12(2)10-11)17-15(18)14-6-4-3-5-9-16-14/h11-14,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyRVEOVHCATVYNCC-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide

N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide (PubChem CID 64570961) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)azepane-2-carboxamide
PubChem CID64570961
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(2,4-dimethylcyclohexyl)azepane-2-carboxamide
SMILESCC1CCC(NC(=O)C2CCCCCN2)C(C)C1
InChIInChI=1S/C15H28N2O/c1-11-7-8-13(12(2)10-11)17-15(18)14-6-4-3-5-9-16-14/h11-14,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyRVEOVHCATVYNCC-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 63997751
N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
CID 64562992
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632807
(2S)-N-(2-methoxycyclopentyl)piperidine-2-carboxamide
CID 104913815
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
(2R)-N-(4-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 164659167
(2R)-N-[(1S,3R,4R)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide
CID 58369448
N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide
CID 143950211

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide (CID 64570961) is N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide is CC1CCC(NC(=O)C2CCCCCN2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide?
The InChIKey is RVEOVHCATVYNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11-7-8-13(12(2)10-11)17-15(18)14-6-4-3-5-9-16-14/h11-14,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide?
N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide is sourced from PubChem (CID 64570961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).