2-(2-oxopropyl)hexanamide

C9H17NO2 — CID 76664387

IUPAC2-(2-oxopropyl)hexanamide
SMILESCCCCC(CC(C)=O)C(N)=O
InChIInChI=1S/C9H17NO2/c1-3-4-5-8(9(10)12)6-7(2)11/h8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyRMAGVYXKOYFMSX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.26
Rot. Bonds6

About 2-(2-oxopropyl)hexanamide

2-(2-oxopropyl)hexanamide (PubChem CID 76664387) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2-oxopropyl)hexanamide.

Molecular Properties

Compound Name2-(2-oxopropyl)hexanamide
PubChem CID76664387
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(2-oxopropyl)hexanamide
SMILESCCCCC(CC(C)=O)C(N)=O
InChIInChI=1S/C9H17NO2/c1-3-4-5-8(9(10)12)6-7(2)11/h8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyRMAGVYXKOYFMSX-UHFFFAOYSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)hexanamide?
The IUPAC name of 2-(2-oxopropyl)hexanamide (CID 76664387) is 2-(2-oxopropyl)hexanamide.
What is the SMILES notation for 2-(2-oxopropyl)hexanamide?
The canonical SMILES for 2-(2-oxopropyl)hexanamide is CCCCC(CC(C)=O)C(N)=O.
What is the InChIKey of 2-(2-oxopropyl)hexanamide?
The InChIKey is RMAGVYXKOYFMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-5-8(9(10)12)6-7(2)11/h8H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 2-(2-oxopropyl)hexanamide?
2-(2-oxopropyl)hexanamide has a molecular weight of 171.24 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)hexanamide is sourced from PubChem (CID 76664387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).