N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide

C16H30N2O2 — CID 79560608

IUPACN-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
SMILESCC(O)CC1CCCCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-13(19)12-15-10-6-3-7-11-18(15)16(20)17-14-8-4-2-5-9-14/h13-15,19H,2-12H2,1H3,(H,17,20)
InChIKeyYCOBSWUWGMPEGB-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.04
Rot. Bonds3

About N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide

N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide (PubChem CID 79560608) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
PubChem CID79560608
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
SMILESCC(O)CC1CCCCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-13(19)12-15-10-6-3-7-11-18(15)16(20)17-14-8-4-2-5-9-14/h13-15,19H,2-12H2,1H3,(H,17,20)
InChIKeyYCOBSWUWGMPEGB-UHFFFAOYSA-N
XLogP3.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
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-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757
2-(aminomethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 62699493
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427691
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide
CID 79559941

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide (CID 79560608) is N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide is CC(O)CC1CCCCCN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide?
The InChIKey is YCOBSWUWGMPEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(19)12-15-10-6-3-7-11-18(15)16(20)17-14-8-4-2-5-9-14/h13-15,19H,2-12H2,1H3,(H,17,20).
What are the key properties of N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide?
N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide is sourced from PubChem (CID 79560608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).