2-propylhexanamide

C9H19NO — CID 19818979

IUPAC2-propylhexanamide
SMILESCCCCC(CCC)C(N)=O
InChIInChI=1S/C9H19NO/c1-3-5-7-8(6-4-2)9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyCTLSDJVGEINEDE-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.08
Rot. Bonds6

About 2-propylhexanamide

2-propylhexanamide (PubChem CID 19818979) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-propylhexanamide.

Molecular Properties

Compound Name2-propylhexanamide
PubChem CID19818979
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-propylhexanamide
SMILESCCCCC(CCC)C(N)=O
InChIInChI=1S/C9H19NO/c1-3-5-7-8(6-4-2)9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyCTLSDJVGEINEDE-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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Related Compounds

2,9-dibutyldecanediamide
CID 141080467
5-hydroxy-2-propylpentanamide
CID 21402979
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
6-amino-2-propylhexanamide
CID 57133562
2-propylhexanamide;pyridine
CID 67753148
acetic acid;2-butylhexadecanamide
CID 174441858
2-propylhexadecanediamide
CID 142717306
ethene;2-hexadecyloctadecanamide
CID 87836706

Frequently Asked Questions

What is the IUPAC name of 2-propylhexanamide?
The IUPAC name of 2-propylhexanamide (CID 19818979) is 2-propylhexanamide.
What is the SMILES notation for 2-propylhexanamide?
The canonical SMILES for 2-propylhexanamide is CCCCC(CCC)C(N)=O.
What is the InChIKey of 2-propylhexanamide?
The InChIKey is CTLSDJVGEINEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-7-8(6-4-2)9(10)11/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 2-propylhexanamide?
2-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 2-propylhexanamide is sourced from PubChem (CID 19818979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).