2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide

C13H23NO2 — CID 107178837

IUPAC2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(=O)C(C)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C13H23NO2/c1-9(10(2)15)14-12(16)11-7-5-6-8-13(11,3)4/h9,11H,5-8H2,1-4H3,(H,14,16)
InChIKeyNZSQEBDVJFWOTI-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.30
Rot. Bonds3

About 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide

2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 107178837) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
PubChem CID107178837
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(=O)C(C)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C13H23NO2/c1-9(10(2)15)14-12(16)11-7-5-6-8-13(11,3)4/h9,11H,5-8H2,1-4H3,(H,14,16)
InChIKeyNZSQEBDVJFWOTI-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide (CID 107178837) is 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide is CC(=O)C(C)NC(=O)C1CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is NZSQEBDVJFWOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(10(2)15)14-12(16)11-7-5-6-8-13(11,3)4/h9,11H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide?
2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107178837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).