(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide

C23H42N2O — CID 155472776

IUPAC(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C23H42N2O/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/h5-6,8-9,11-12H,4,7,10,13-22H2,1-3H3,(H,24,26)/b6-5-,9-8-,12-11-
InChIKeySYSJCKNAQKZRFE-AGRJPVHOSA-N
MW362.60 g/mol
LogP5.64
Rot. Bonds17

About (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide

(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide (PubChem CID 155472776) has the molecular formula C23H42N2O and a molecular weight of 362.60 g/mol. Its IUPAC name is (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide
PubChem CID155472776
Molecular FormulaC23H42N2O
Molecular Weight362.60 g/mol
Exact Mass362.33
IUPAC Name(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C23H42N2O/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/h5-6,8-9,11-12H,4,7,10,13-22H2,1-3H3,(H,24,26)/b6-5-,9-8-,12-11-
InChIKeySYSJCKNAQKZRFE-AGRJPVHOSA-N
XLogP5.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.64
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'}

Analyze (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide with MolForge

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Related Compounds

(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
hexadecanamide;(9Z,12Z,15Z)-N-pentyloctadeca-9,12,15-trienamide
CID 156747342
3-[2-(dimethylamino)ethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]-3-oxopropyl]amino]-N-[(9Z,12Z)-octadeca-9,12-dienyl]propanamide
CID 164813974
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
(5Z,8Z,11Z,14Z,17Z)-N-(2-aminoethyl)icosa-5,8,11,14,17-pentaenamide
CID 86696154
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide
CID 53427633
N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 140637385
(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 90031560

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide?
The IUPAC name of (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide (CID 155472776) is (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide.
What is the SMILES notation for (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide?
The canonical SMILES for (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCCN(C)C.
What is the InChIKey of (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide?
The InChIKey is SYSJCKNAQKZRFE-AGRJPVHOSA-N. The full InChI is InChI=1S/C23H42N2O/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/h5-6,8-9,11-12H,4,7,10,13-22H2,1-3H3,(H,24,26)/b6-5-,9-8-,12-11-.
What are the key properties of (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide?
(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide has a molecular weight of 362.60 g/mol, XLogP of 5.64, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide is sourced from PubChem (CID 155472776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).