(9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide

C21H37NO — CID 53321666

IUPAC(9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3,(H,22,23)/b6-5-,9-8-,12-11-
InChIKeyJLATWNWMHRJDIY-AGRJPVHOSA-N
MW319.53 g/mol
LogP6.10
Rot. Bonds14

About (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide

(9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide (PubChem CID 53321666) has the molecular formula C21H37NO and a molecular weight of 319.53 g/mol. Its IUPAC name is (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide
PubChem CID53321666
Molecular FormulaC21H37NO
Molecular Weight319.53 g/mol
Exact Mass319.29
IUPAC Name(9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3,(H,22,23)/b6-5-,9-8-,12-11-
InChIKeyJLATWNWMHRJDIY-AGRJPVHOSA-N
XLogP6.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.53
LogP ≤ 56.10
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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Frequently Asked Questions

What is the IUPAC name of (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide?
The IUPAC name of (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide (CID 53321666) is (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide.
What is the SMILES notation for (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide?
The canonical SMILES for (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NC(C)C.
What is the InChIKey of (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide?
The InChIKey is JLATWNWMHRJDIY-AGRJPVHOSA-N. The full InChI is InChI=1S/C21H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3,(H,22,23)/b6-5-,9-8-,12-11-.
What are the key properties of (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide?
(9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide has a molecular weight of 319.53 g/mol, XLogP of 6.10, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide is sourced from PubChem (CID 53321666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).