N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide

C13H23NO2 — CID 17330467

IUPACN-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C1CCCO1
InChIInChI=1S/C13H23NO2/c1-10(12-8-5-9-16-12)14-13(15)11-6-3-2-4-7-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyZTHUFHDZSOTLRE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide

N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 17330467) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID17330467
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C1CCCO1
InChIInChI=1S/C13H23NO2/c1-10(12-8-5-9-16-12)14-13(15)11-6-3-2-4-7-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyZTHUFHDZSOTLRE-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide (CID 17330467) is N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is ZTHUFHDZSOTLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(12-8-5-9-16-12)14-13(15)11-6-3-2-4-7-11/h10-12H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide?
N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 17330467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).