3-propyloctanamide

C11H23NO — CID 87886173

IUPAC3-propyloctanamide
SMILESCCCCCC(CCC)CC(N)=O
InChIInChI=1S/C11H23NO/c1-3-5-6-8-10(7-4-2)9-11(12)13/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyUVMZQMIROXHJRY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.86
Rot. Bonds8

About 3-propyloctanamide

3-propyloctanamide (PubChem CID 87886173) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-propyloctanamide.

Molecular Properties

Compound Name3-propyloctanamide
PubChem CID87886173
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-propyloctanamide
SMILESCCCCCC(CCC)CC(N)=O
InChIInChI=1S/C11H23NO/c1-3-5-6-8-10(7-4-2)9-11(12)13/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyUVMZQMIROXHJRY-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-tetradecylheptadecanamide
CID 89491134
3-aminoundecanamide
CID 154005326
4-hexyldecanamide
CID 129239397
3-tetradecyloctadecanoic acid
CID 18954670
4-propyloctan-2-one
CID 15632958
2-butyloctyl carbamate
CID 22099120
ethyl 3-butylnonanoate
CID 131636821
butyl 3-dodecylheptadecanoate
CID 23148765
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942

Frequently Asked Questions

What is the IUPAC name of 3-propyloctanamide?
The IUPAC name of 3-propyloctanamide (CID 87886173) is 3-propyloctanamide.
What is the SMILES notation for 3-propyloctanamide?
The canonical SMILES for 3-propyloctanamide is CCCCCC(CCC)CC(N)=O.
What is the InChIKey of 3-propyloctanamide?
The InChIKey is UVMZQMIROXHJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-6-8-10(7-4-2)9-11(12)13/h10H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 3-propyloctanamide?
3-propyloctanamide has a molecular weight of 185.31 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyloctanamide is sourced from PubChem (CID 87886173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).