(Z)-2-(1-hydroxyethyl)octadec-9-enamide

C20H39NO2 — CID 88764742

IUPAC(Z)-2-(1-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C(N)=O)C(C)O
InChIInChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)22)20(21)23/h10-11,18-19,22H,3-9,12-17H2,1-2H3,(H2,21,23)/b11-10-
InChIKeyJAVFWUSGKQZIRO-KHPPLWFESA-N
MW325.54 g/mol
LogP5.12
Rot. Bonds16

About (Z)-2-(1-hydroxyethyl)octadec-9-enamide

(Z)-2-(1-hydroxyethyl)octadec-9-enamide (PubChem CID 88764742) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is (Z)-2-(1-hydroxyethyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-2-(1-hydroxyethyl)octadec-9-enamide
PubChem CID88764742
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name(Z)-2-(1-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C(N)=O)C(C)O
InChIInChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)22)20(21)23/h10-11,18-19,22H,3-9,12-17H2,1-2H3,(H2,21,23)/b11-10-
InChIKeyJAVFWUSGKQZIRO-KHPPLWFESA-N
XLogP5.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-2-(1-hydroxyethyl)octadec-9-enamide?
The IUPAC name of (Z)-2-(1-hydroxyethyl)octadec-9-enamide (CID 88764742) is (Z)-2-(1-hydroxyethyl)octadec-9-enamide.
What is the SMILES notation for (Z)-2-(1-hydroxyethyl)octadec-9-enamide?
The canonical SMILES for (Z)-2-(1-hydroxyethyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCC(C(N)=O)C(C)O.
What is the InChIKey of (Z)-2-(1-hydroxyethyl)octadec-9-enamide?
The InChIKey is JAVFWUSGKQZIRO-KHPPLWFESA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)22)20(21)23/h10-11,18-19,22H,3-9,12-17H2,1-2H3,(H2,21,23)/b11-10-.
What are the key properties of (Z)-2-(1-hydroxyethyl)octadec-9-enamide?
(Z)-2-(1-hydroxyethyl)octadec-9-enamide has a molecular weight of 325.54 g/mol, XLogP of 5.12, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-hydroxyethyl)octadec-9-enamide is sourced from PubChem (CID 88764742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).