(E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide

C22H43NO3 — CID 6366408

IUPAC(E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H43NO3/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/h9-10,24-25H,2-8,11-21H2,1H3/b10-9+
InChIKeyLPMBTLLQQJBUOO-MDZDMXLPSA-N
MW369.59 g/mol
LogP4.84
Rot. Bonds19

About (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide

(E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide (PubChem CID 6366408) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide
PubChem CID6366408
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name(E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H43NO3/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/h9-10,24-25H,2-8,11-21H2,1H3/b10-9+
InChIKeyLPMBTLLQQJBUOO-MDZDMXLPSA-N
XLogP4.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 54.84
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 (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide?
The IUPAC name of (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide (CID 6366408) is (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide.
What is the SMILES notation for (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide?
The canonical SMILES for (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide is CCCCCCCC/C=C/CCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide?
The InChIKey is LPMBTLLQQJBUOO-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H43NO3/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/h9-10,24-25H,2-8,11-21H2,1H3/b10-9+.
What are the key properties of (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide?
(E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide has a molecular weight of 369.59 g/mol, XLogP of 4.84, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-hydroxyethyl)octadec-9-enamide is sourced from PubChem (CID 6366408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).