N-(4-oxocyclohexyl)-2-propylpentanamide

C14H25NO2 — CID 82984490

IUPACN-(4-oxocyclohexyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C14H25NO2/c1-3-5-11(6-4-2)14(17)15-12-7-9-13(16)10-8-12/h11-12H,3-10H2,1-2H3,(H,15,17)
InChIKeyIZHVICLYDSVIFD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.83
Rot. Bonds6

About N-(4-oxocyclohexyl)-2-propylpentanamide

N-(4-oxocyclohexyl)-2-propylpentanamide (PubChem CID 82984490) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-oxocyclohexyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(4-oxocyclohexyl)-2-propylpentanamide
PubChem CID82984490
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(4-oxocyclohexyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C14H25NO2/c1-3-5-11(6-4-2)14(17)15-12-7-9-13(16)10-8-12/h11-12H,3-10H2,1-2H3,(H,15,17)
InChIKeyIZHVICLYDSVIFD-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxocyclohexyl)-2-propylpentanamide?
The IUPAC name of N-(4-oxocyclohexyl)-2-propylpentanamide (CID 82984490) is N-(4-oxocyclohexyl)-2-propylpentanamide.
What is the SMILES notation for N-(4-oxocyclohexyl)-2-propylpentanamide?
The canonical SMILES for N-(4-oxocyclohexyl)-2-propylpentanamide is CCCC(CCC)C(=O)NC1CCC(=O)CC1.
What is the InChIKey of N-(4-oxocyclohexyl)-2-propylpentanamide?
The InChIKey is IZHVICLYDSVIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-5-11(6-4-2)14(17)15-12-7-9-13(16)10-8-12/h11-12H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-oxocyclohexyl)-2-propylpentanamide?
N-(4-oxocyclohexyl)-2-propylpentanamide has a molecular weight of 239.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxocyclohexyl)-2-propylpentanamide is sourced from PubChem (CID 82984490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).