N-cyclohexyl-2-ethylazepane-1-carboxamide

C15H28N2O — CID 113240213

IUPACN-cyclohexyl-2-ethylazepane-1-carboxamide
SMILESCCC1CCCCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-14-11-7-4-8-12-17(14)15(18)16-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyJRGAYZPTQRKVMH-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.68
Rot. Bonds2

About N-cyclohexyl-2-ethylazepane-1-carboxamide

N-cyclohexyl-2-ethylazepane-1-carboxamide (PubChem CID 113240213) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-cyclohexyl-2-ethylazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethylazepane-1-carboxamide
PubChem CID113240213
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-cyclohexyl-2-ethylazepane-1-carboxamide
SMILESCCC1CCCCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-14-11-7-4-8-12-17(14)15(18)16-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyJRGAYZPTQRKVMH-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
2-ethylazepane-1-carbohydrazide
CID 104691127
(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427691
N-cyclohexyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 75457868
N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
CID 79560608
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide
CID 114086580
2-(aminomethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 62699493

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethylazepane-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-ethylazepane-1-carboxamide (CID 113240213) is N-cyclohexyl-2-ethylazepane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-ethylazepane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-ethylazepane-1-carboxamide is CCC1CCCCCN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-ethylazepane-1-carboxamide?
The InChIKey is JRGAYZPTQRKVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-14-11-7-4-8-12-17(14)15(18)16-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of N-cyclohexyl-2-ethylazepane-1-carboxamide?
N-cyclohexyl-2-ethylazepane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethylazepane-1-carboxamide is sourced from PubChem (CID 113240213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).