(9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide

C22H39NO3 — CID 6437408

IUPAC(9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h3-4,6-7,9-10,24-25H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-
InChIKeyVHFVFDNVBQGNQX-PDBXOOCHSA-N
MW365.56 g/mol
LogP4.39
Rot. Bonds17

About (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide

(9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide (PubChem CID 6437408) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide
PubChem CID6437408
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Name(9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h3-4,6-7,9-10,24-25H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-
InChIKeyVHFVFDNVBQGNQX-PDBXOOCHSA-N
XLogP4.39
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide?
The IUPAC name of (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide (CID 6437408) is (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide.
What is the SMILES notation for (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide?
The canonical SMILES for (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide?
The InChIKey is VHFVFDNVBQGNQX-PDBXOOCHSA-N. The full InChI is InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h3-4,6-7,9-10,24-25H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-.
What are the key properties of (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide?
(9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide has a molecular weight of 365.56 g/mol, XLogP of 4.39, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide is sourced from PubChem (CID 6437408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).