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

C24H48N2O — CID 5368041

IUPAC(Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCN(CC)CC
InChIInChI=1S/C24H48N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3,(H,25,27)/b14-13-
InChIKeyWCSBDRIEINNXNW-YPKPFQOOSA-N
MW380.66 g/mol
LogP6.48
Rot. Bonds20

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

(Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide (PubChem CID 5368041) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is (Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide
PubChem CID5368041
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC Name(Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCN(CC)CC
InChIInChI=1S/C24H48N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3,(H,25,27)/b14-13-
InChIKeyWCSBDRIEINNXNW-YPKPFQOOSA-N
XLogP6.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 56.48
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-(diethylamino)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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide (CID 5368041) is (Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(CC)CC.
What is the InChIKey of (Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide?
The InChIKey is WCSBDRIEINNXNW-YPKPFQOOSA-N. The full InChI is InChI=1S/C24H48N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3,(H,25,27)/b14-13-.
What are the key properties of (Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide?
(Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide has a molecular weight of 380.66 g/mol, XLogP of 6.48, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(diethylamino)ethyl]octadec-9-enamide is sourced from PubChem (CID 5368041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).