(9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide

C23H44N2O — CID 16745071

IUPAC(9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C23H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h8-9,11-12H,4-7,10,13-22H2,1-3H3,(H,24,26)/b9-8-,12-11-
InChIKeyYLXASPMPBDPQLL-MURFETPASA-N
MW364.62 g/mol
LogP5.87
Rot. Bonds18

About (9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide

(9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide (PubChem CID 16745071) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is (9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide
PubChem CID16745071
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name(9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C23H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h8-9,11-12H,4-7,10,13-22H2,1-3H3,(H,24,26)/b9-8-,12-11-
InChIKeyYLXASPMPBDPQLL-MURFETPASA-N
XLogP5.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 55.87
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-[3-(dimethylamino)propyl]octadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide (CID 16745071) is (9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCN(C)C.
What is the InChIKey of (9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide?
The InChIKey is YLXASPMPBDPQLL-MURFETPASA-N. The full InChI is InChI=1S/C23H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h8-9,11-12H,4-7,10,13-22H2,1-3H3,(H,24,26)/b9-8-,12-11-.
What are the key properties of (9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide?
(9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide has a molecular weight of 364.62 g/mol, XLogP of 5.87, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-[3-(dimethylamino)propyl]octadeca-9,12-dienamide is sourced from PubChem (CID 16745071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).