2-prop-2-enyloctanamide

C11H21NO — CID 87610936

IUPAC2-prop-2-enyloctanamide
SMILESC=CCC(CCCCCC)C(N)=O
InChIInChI=1S/C11H21NO/c1-3-5-6-7-9-10(8-4-2)11(12)13/h4,10H,2-3,5-9H2,1H3,(H2,12,13)
InChIKeyPHZZMBWUXMSSII-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.63
Rot. Bonds8

About 2-prop-2-enyloctanamide

2-prop-2-enyloctanamide (PubChem CID 87610936) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-prop-2-enyloctanamide.

Molecular Properties

Compound Name2-prop-2-enyloctanamide
PubChem CID87610936
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-prop-2-enyloctanamide
SMILESC=CCC(CCCCCC)C(N)=O
InChIInChI=1S/C11H21NO/c1-3-5-6-7-9-10(8-4-2)11(12)13/h4,10H,2-3,5-9H2,1H3,(H2,12,13)
InChIKeyPHZZMBWUXMSSII-UHFFFAOYSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 94815
(E)-2-methyloctadec-9-enamide
CID 19371032
Propylallylacetamide
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2-[(1S,3R)-2-methylidene-3-octylcyclopropyl]acetamide
CID 44264371
2-[(1S,2R)-2-dodecyl-3-methylidenecyclopropyl]acetamide
CID 44264373
Cyclohex-2-en-acetamide
CID 14143177
Allylstearamide
CID 86220574
(Z)-2-tetradecylicos-11-enamide
CID 87077030
n-Butyl-diallylacetamid
CID 87126840
2-Methyloleamide
CID 88432352
Dodecyloleamide
CID 129728141

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyloctanamide?
The IUPAC name of 2-prop-2-enyloctanamide (CID 87610936) is 2-prop-2-enyloctanamide.
What is the SMILES notation for 2-prop-2-enyloctanamide?
The canonical SMILES for 2-prop-2-enyloctanamide is C=CCC(CCCCCC)C(N)=O.
What is the InChIKey of 2-prop-2-enyloctanamide?
The InChIKey is PHZZMBWUXMSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-6-7-9-10(8-4-2)11(12)13/h4,10H,2-3,5-9H2,1H3,(H2,12,13).
What are the key properties of 2-prop-2-enyloctanamide?
2-prop-2-enyloctanamide has a molecular weight of 183.29 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyloctanamide is sourced from PubChem (CID 87610936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).