4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide

C13H23NO2 — CID 123855247

IUPAC4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide
SMILESCC1(C)CCC(C(=O)NC2CCOC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(2)6-3-10(4-7-13)12(15)14-11-5-8-16-9-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyHQASWHHUGBLFQL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds2

About 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide

4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide (PubChem CID 123855247) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide
PubChem CID123855247
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide
SMILESCC1(C)CCC(C(=O)NC2CCOC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(2)6-3-10(4-7-13)12(15)14-11-5-8-16-9-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyHQASWHHUGBLFQL-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide (CID 123855247) is 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide is CC1(C)CCC(C(=O)NC2CCOC2)CC1.
What is the InChIKey of 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is HQASWHHUGBLFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)6-3-10(4-7-13)12(15)14-11-5-8-16-9-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide?
4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 123855247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).