(Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide

C22H44N2O — CID 54600199

IUPAC(Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCN(C)C
InChIInChI=1S/C22H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24(2)3/h11-12H,4-10,13-21H2,1-3H3,(H,23,25)/b12-11-
InChIKeyXBAWSQDWPKWYFF-QXMHVHEDSA-N
MW352.61 g/mol
LogP5.70
Rot. Bonds18

About (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide

(Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide (PubChem CID 54600199) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide
PubChem CID54600199
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Name(Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCN(C)C
InChIInChI=1S/C22H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24(2)3/h11-12H,4-10,13-21H2,1-3H3,(H,23,25)/b12-11-
InChIKeyXBAWSQDWPKWYFF-QXMHVHEDSA-N
XLogP5.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 55.70
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 (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-propyl arachidonoyl amine
CID 5283394
(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
N-ethyl arachidonoyl amine
CID 5283391
9-Octadecenamide, N,N'-[(methylimino)di-3,1-propanediyl]bis-, (9Z,9'Z)-
CID 6441654
9-Octadecenamide, N-(1-methylethyl)-, (9Z)-
CID 6436377

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide (CID 54600199) is (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(C)C.
What is the InChIKey of (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide?
The InChIKey is XBAWSQDWPKWYFF-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24(2)3/h11-12H,4-10,13-21H2,1-3H3,(H,23,25)/b12-11-.
What are the key properties of (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide?
(Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide has a molecular weight of 352.61 g/mol, XLogP of 5.70, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(dimethylamino)ethyl]octadec-9-enamide is sourced from PubChem (CID 54600199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).