(Z)-N-[3-(dimethylamino)propyl]docos-13-enamide

C27H54N2O — CID 87989022

IUPAC(Z)-N-[3-(dimethylamino)propyl]docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C27H54N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h11-12H,4-10,13-26H2,1-3H3,(H,28,30)/b12-11-
InChIKeyAOKZLBCDXJYXOK-QXMHVHEDSA-N
MW422.74 g/mol
LogP7.65
Rot. Bonds23

About (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide

(Z)-N-[3-(dimethylamino)propyl]docos-13-enamide (PubChem CID 87989022) has the molecular formula C27H54N2O and a molecular weight of 422.74 g/mol. Its IUPAC name is (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(dimethylamino)propyl]docos-13-enamide
PubChem CID87989022
Molecular FormulaC27H54N2O
Molecular Weight422.74 g/mol
Exact Mass422.42
IUPAC Name(Z)-N-[3-(dimethylamino)propyl]docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C27H54N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h11-12H,4-10,13-26H2,1-3H3,(H,28,30)/b12-11-
InChIKeyAOKZLBCDXJYXOK-QXMHVHEDSA-N
XLogP7.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 57.65
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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Related Compounds

Stearyl erucamide
CID 6436363
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-
CID 66966
Oleyl palmitamide
CID 6436436
N-(3-(Dimethylamino)propyl)oleamide
CID 6436063
Trimethyl-3-((1-oxo-10-undecenyl)amino)propylammonium methyl sulphate
CID 3038532
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)icosa-5,8,11,14-tetraenamide
CID 5283436
N-propyl arachidonoyl amine
CID 5283394
Oleamidopropyl Betaine
CID 6436555
(9Z)-N-(9Z)-9-Octadecen-1-yl-9-octadecenamide
CID 51341857
Linoleamidopropyl Dimethylamine
CID 16745071
N,N-Diethyl-N'-oleoylethylenediamine
CID 5368041
Ethylene dioleamide
CID 6436065

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide?
The IUPAC name of (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide (CID 87989022) is (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide.
What is the SMILES notation for (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide?
The canonical SMILES for (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCN(C)C.
What is the InChIKey of (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide?
The InChIKey is AOKZLBCDXJYXOK-QXMHVHEDSA-N. The full InChI is InChI=1S/C27H54N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h11-12H,4-10,13-26H2,1-3H3,(H,28,30)/b12-11-.
What are the key properties of (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide?
(Z)-N-[3-(dimethylamino)propyl]docos-13-enamide has a molecular weight of 422.74 g/mol, XLogP of 7.65, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(dimethylamino)propyl]docos-13-enamide is sourced from PubChem (CID 87989022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).