(9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide

C22H41NO3 — CID 6366410

IUPAC(9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H41NO3/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/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3/b7-6+,10-9+
InChIKeyCKNOIIXFUKKRIC-AVQMFFATSA-N
MW367.57 g/mol
LogP4.61
Rot. Bonds18

About (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide

(9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide (PubChem CID 6366410) has the molecular formula C22H41NO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide
PubChem CID6366410
Molecular FormulaC22H41NO3
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC Name(9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H41NO3/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/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3/b7-6+,10-9+
InChIKeyCKNOIIXFUKKRIC-AVQMFFATSA-N
XLogP4.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 54.61
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 (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide?
The IUPAC name of (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide (CID 6366410) is (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide.
What is the SMILES notation for (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide?
The canonical SMILES for (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide is CCCCC/C=C/C/C=C/CCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide?
The InChIKey is CKNOIIXFUKKRIC-AVQMFFATSA-N. The full InChI is InChI=1S/C22H41NO3/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/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3/b7-6+,10-9+.
What are the key properties of (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide?
(9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide has a molecular weight of 367.57 g/mol, XLogP of 4.61, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide is sourced from PubChem (CID 6366410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).