N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide

C14H22N2O2 — CID 55048282

IUPACN-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
SMILESN#CC(NC(=O)C1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c15-10-12(11-6-2-1-3-7-11)16-14(17)13-8-4-5-9-18-13/h11-13H,1-9H2,(H,16,17)
InChIKeyHDKYLUGSXLSTTK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds3

About N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide

N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide (PubChem CID 55048282) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
PubChem CID55048282
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
SMILESN#CC(NC(=O)C1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c15-10-12(11-6-2-1-3-7-11)16-14(17)13-8-4-5-9-18-13/h11-13H,1-9H2,(H,16,17)
InChIKeyHDKYLUGSXLSTTK-UHFFFAOYSA-N
XLogP2.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide
CID 144828396
N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
N-[cyano(phenyl)methyl]oxane-2-carboxamide
CID 62214242
(2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide
CID 131134603
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 61365534
N-(2-cyanopropyl)oxane-2-carboxamide
CID 62652934
N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide
CID 79155147
N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
CID 127415284
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
N-(3-cyanopropyl)oxane-2-carboxamide
CID 62667376
cis-(1S,2R)-2-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1,2-dicarboxamide
CID 20740195

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide (CID 55048282) is N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide is N#CC(NC(=O)C1CCCCO1)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide?
The InChIKey is HDKYLUGSXLSTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-10-12(11-6-2-1-3-7-11)16-14(17)13-8-4-5-9-18-13/h11-13H,1-9H2,(H,16,17).
What are the key properties of N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide?
N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 55048282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).