3-propylhexanamide

C9H19NO — CID 3043304

IUPAC3-propylhexanamide
SMILESCCCC(CCC)CC(N)=O
InChIInChI=1S/C9H19NO/c1-3-5-8(6-4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyKAACLWQGBIEOGR-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.08
Rot. Bonds6

About 3-propylhexanamide

3-propylhexanamide (PubChem CID 3043304) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-propylhexanamide.

Molecular Properties

Compound Name3-propylhexanamide
PubChem CID3043304
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-propylhexanamide
SMILESCCCC(CCC)CC(N)=O
InChIInChI=1S/C9H19NO/c1-3-5-8(6-4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyKAACLWQGBIEOGR-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propylhexanamide?
The IUPAC name of 3-propylhexanamide (CID 3043304) is 3-propylhexanamide.
What is the SMILES notation for 3-propylhexanamide?
The canonical SMILES for 3-propylhexanamide is CCCC(CCC)CC(N)=O.
What is the InChIKey of 3-propylhexanamide?
The InChIKey is KAACLWQGBIEOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-8(6-4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 3-propylhexanamide?
3-propylhexanamide has a molecular weight of 157.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylhexanamide is sourced from PubChem (CID 3043304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).