2,3-dipropylhexanamide

C12H25NO — CID 3041943

IUPAC2,3-dipropylhexanamide
SMILESCCCC(CCC)C(CCC)C(N)=O
InChIInChI=1S/C12H25NO/c1-4-7-10(8-5-2)11(9-6-3)12(13)14/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeySTLPPPYZHTZUCZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.10
Rot. Bonds8

About 2,3-dipropylhexanamide

2,3-dipropylhexanamide (PubChem CID 3041943) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,3-dipropylhexanamide.

Molecular Properties

Compound Name2,3-dipropylhexanamide
PubChem CID3041943
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,3-dipropylhexanamide
SMILESCCCC(CCC)C(CCC)C(N)=O
InChIInChI=1S/C12H25NO/c1-4-7-10(8-5-2)11(9-6-3)12(13)14/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeySTLPPPYZHTZUCZ-UHFFFAOYSA-N
XLogP3.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dipropylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dipropylhexanamide?
The IUPAC name of 2,3-dipropylhexanamide (CID 3041943) is 2,3-dipropylhexanamide.
What is the SMILES notation for 2,3-dipropylhexanamide?
The canonical SMILES for 2,3-dipropylhexanamide is CCCC(CCC)C(CCC)C(N)=O.
What is the InChIKey of 2,3-dipropylhexanamide?
The InChIKey is STLPPPYZHTZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-10(8-5-2)11(9-6-3)12(13)14/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 2,3-dipropylhexanamide?
2,3-dipropylhexanamide has a molecular weight of 199.34 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropylhexanamide is sourced from PubChem (CID 3041943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).