4-cyclohexyl-2-oxobutanamide

C10H17NO2 — CID 69253318

IUPAC4-cyclohexyl-2-oxobutanamide
SMILESNC(=O)C(=O)CCC1CCCCC1
InChIInChI=1S/C10H17NO2/c11-10(13)9(12)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,13)
InChIKeyLQZWJTSSWLNLSU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.40
Rot. Bonds4

About 4-cyclohexyl-2-oxobutanamide

4-cyclohexyl-2-oxobutanamide (PubChem CID 69253318) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-cyclohexyl-2-oxobutanamide.

Molecular Properties

Compound Name4-cyclohexyl-2-oxobutanamide
PubChem CID69253318
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-cyclohexyl-2-oxobutanamide
SMILESNC(=O)C(=O)CCC1CCCCC1
InChIInChI=1S/C10H17NO2/c11-10(13)9(12)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,13)
InChIKeyLQZWJTSSWLNLSU-UHFFFAOYSA-N
XLogP1.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexylpropanamide;ethane;methanamine
CID 178116013
3-cyclopentylpropanamide;molecular hydrogen
CID 142041552
methyl 4-cyclohexyl-2-oxobutanoate
CID 102124215
sodium 3-cyclopentylpropanoate
CID 162201470
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
18-cyclohexyloctadecanamide
CID 70490920
2-(3-cyclohexylpropanoylamino)propanediamide
CID 47149965
(3-cyclohexylpropanoylamino)thiourea
CID 65214782
1-cyclohexyl-5-methylhex-4-en-3-one
CID 115780649
3-cyclopropylpropanamide
CID 53414720
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-oxobutanamide?
The IUPAC name of 4-cyclohexyl-2-oxobutanamide (CID 69253318) is 4-cyclohexyl-2-oxobutanamide.
What is the SMILES notation for 4-cyclohexyl-2-oxobutanamide?
The canonical SMILES for 4-cyclohexyl-2-oxobutanamide is NC(=O)C(=O)CCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2-oxobutanamide?
The InChIKey is LQZWJTSSWLNLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-10(13)9(12)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,13).
What are the key properties of 4-cyclohexyl-2-oxobutanamide?
4-cyclohexyl-2-oxobutanamide has a molecular weight of 183.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-oxobutanamide is sourced from PubChem (CID 69253318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).