2-(4-oxocyclohexyl)-N,N-dipropylacetamide

C14H25NO2 — CID 22467164

IUPAC2-(4-oxocyclohexyl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1CCC(=O)CC1
InChIInChI=1S/C14H25NO2/c1-3-9-15(10-4-2)14(17)11-12-5-7-13(16)8-6-12/h12H,3-11H2,1-2H3
InChIKeyAXLPVNOIKGJZNW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.78
Rot. Bonds6

About 2-(4-oxocyclohexyl)-N,N-dipropylacetamide

2-(4-oxocyclohexyl)-N,N-dipropylacetamide (PubChem CID 22467164) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(4-oxocyclohexyl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-oxocyclohexyl)-N,N-dipropylacetamide
PubChem CID22467164
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(4-oxocyclohexyl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1CCC(=O)CC1
InChIInChI=1S/C14H25NO2/c1-3-9-15(10-4-2)14(17)11-12-5-7-13(16)8-6-12/h12H,3-11H2,1-2H3
InChIKeyAXLPVNOIKGJZNW-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxocyclohexyl)-N,N-dipropylacetamide?
The IUPAC name of 2-(4-oxocyclohexyl)-N,N-dipropylacetamide (CID 22467164) is 2-(4-oxocyclohexyl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-oxocyclohexyl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-oxocyclohexyl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CC1CCC(=O)CC1.
What is the InChIKey of 2-(4-oxocyclohexyl)-N,N-dipropylacetamide?
The InChIKey is AXLPVNOIKGJZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-9-15(10-4-2)14(17)11-12-5-7-13(16)8-6-12/h12H,3-11H2,1-2H3.
What are the key properties of 2-(4-oxocyclohexyl)-N,N-dipropylacetamide?
2-(4-oxocyclohexyl)-N,N-dipropylacetamide has a molecular weight of 239.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxocyclohexyl)-N,N-dipropylacetamide is sourced from PubChem (CID 22467164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).