(9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide

C21H39NO — CID 6444518

IUPAC(9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3,(H,22,23)/b9-8-,12-11-
InChIKeyGHLUXRXWPBHFNB-MURFETPASA-N
MW321.55 g/mol
LogP6.32
Rot. Bonds15

About (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide

(9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide (PubChem CID 6444518) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide
PubChem CID6444518
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name(9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3,(H,22,23)/b9-8-,12-11-
InChIKeyGHLUXRXWPBHFNB-MURFETPASA-N
XLogP6.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 56.32
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'}

Analyze (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide 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 (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide (CID 6444518) is (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C.
What is the InChIKey of (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide?
The InChIKey is GHLUXRXWPBHFNB-MURFETPASA-N. The full InChI is InChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3,(H,22,23)/b9-8-,12-11-.
What are the key properties of (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide?
(9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide has a molecular weight of 321.55 g/mol, XLogP of 6.32, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide is sourced from PubChem (CID 6444518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).