N-(2-cyclohexylethyl)azepane-1-carboxamide

C15H28N2O — CID 19433297

IUPACN-(2-cyclohexylethyl)azepane-1-carboxamide
SMILESO=C(NCCC1CCCCC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O/c18-15(17-12-6-1-2-7-13-17)16-11-10-14-8-4-3-5-9-14/h14H,1-13H2,(H,16,18)
InChIKeyJMSDWJSLRVIJEF-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.54
Rot. Bonds3

About N-(2-cyclohexylethyl)azepane-1-carboxamide

N-(2-cyclohexylethyl)azepane-1-carboxamide (PubChem CID 19433297) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)azepane-1-carboxamide
PubChem CID19433297
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(2-cyclohexylethyl)azepane-1-carboxamide
SMILESO=C(NCCC1CCCCC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O/c18-15(17-12-6-1-2-7-13-17)16-11-10-14-8-4-3-5-9-14/h14H,1-13H2,(H,16,18)
InChIKeyJMSDWJSLRVIJEF-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)azepane-1-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)azepane-1-carboxamide (CID 19433297) is N-(2-cyclohexylethyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)azepane-1-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)azepane-1-carboxamide is O=C(NCCC1CCCCC1)N1CCCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)azepane-1-carboxamide?
The InChIKey is JMSDWJSLRVIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-15(17-12-6-1-2-7-13-17)16-11-10-14-8-4-3-5-9-14/h14H,1-13H2,(H,16,18).
What are the key properties of N-(2-cyclohexylethyl)azepane-1-carboxamide?
N-(2-cyclohexylethyl)azepane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)azepane-1-carboxamide is sourced from PubChem (CID 19433297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).