(9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide

C22H40N2O — CID 127036772

IUPAC(9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NN1CCCC1
InChIInChI=1S/C22H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)23-24-20-17-18-21-24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9-
InChIKeyRTBPHVWKENCXPN-HZJYTTRNSA-N
MW348.58 g/mol
LogP5.93
Rot. Bonds15

About (9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide

(9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide (PubChem CID 127036772) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is (9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide
PubChem CID127036772
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Name(9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NN1CCCC1
InChIInChI=1S/C22H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)23-24-20-17-18-21-24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9-
InChIKeyRTBPHVWKENCXPN-HZJYTTRNSA-N
XLogP5.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.58
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-pyrrolidin-1-yloctadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide (CID 127036772) is (9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NN1CCCC1.
What is the InChIKey of (9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide?
The InChIKey is RTBPHVWKENCXPN-HZJYTTRNSA-N. The full InChI is InChI=1S/C22H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)23-24-20-17-18-21-24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9-.
What are the key properties of (9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide?
(9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide has a molecular weight of 348.58 g/mol, XLogP of 5.93, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-pyrrolidin-1-yloctadeca-9,12-dienamide is sourced from PubChem (CID 127036772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).