(Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide

C26H51NO3 — CID 88795316

IUPAC(Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCOCC)CCOCC
InChIInChI=1S/C26H51NO3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24-29-5-2)23-25-30-6-3/h13-14H,4-12,15-25H2,1-3H3/b14-13-
InChIKeyOLRUHEYEGYYXPI-YPKPFQOOSA-N
MW425.70 g/mol
LogP6.93
Rot. Bonds23

About (Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide

(Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide (PubChem CID 88795316) has the molecular formula C26H51NO3 and a molecular weight of 425.70 g/mol. Its IUPAC name is (Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide
PubChem CID88795316
Molecular FormulaC26H51NO3
Molecular Weight425.70 g/mol
Exact Mass425.39
IUPAC Name(Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCOCC)CCOCC
InChIInChI=1S/C26H51NO3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24-29-5-2)23-25-30-6-3/h13-14H,4-12,15-25H2,1-3H3/b14-13-
InChIKeyOLRUHEYEGYYXPI-YPKPFQOOSA-N
XLogP6.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-N,N-bis(2-ethoxyethyl)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,N-bis(2-ethoxyethyl)octadec-9-enamide?
The IUPAC name of (Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide (CID 88795316) is (Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide?
The canonical SMILES for (Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CCOCC)CCOCC.
What is the InChIKey of (Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide?
The InChIKey is OLRUHEYEGYYXPI-YPKPFQOOSA-N. The full InChI is InChI=1S/C26H51NO3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24-29-5-2)23-25-30-6-3/h13-14H,4-12,15-25H2,1-3H3/b14-13-.
What are the key properties of (Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide?
(Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide has a molecular weight of 425.70 g/mol, XLogP of 6.93, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-bis(2-ethoxyethyl)octadec-9-enamide is sourced from PubChem (CID 88795316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).