(Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide

C20H39NO3 — CID 11638703

IUPAC(Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(O)CCO
InChIInChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21(24)18-19-22/h9-10,22,24H,2-8,11-19H2,1H3/b10-9-
InChIKeyQINGXEUKNRODNT-KTKRTIGZSA-N
MW341.54 g/mol
LogP5.23
Rot. Bonds17

About (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide

(Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide (PubChem CID 11638703) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide
PubChem CID11638703
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name(Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(O)CCO
InChIInChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21(24)18-19-22/h9-10,22,24H,2-8,11-19H2,1H3/b10-9-
InChIKeyQINGXEUKNRODNT-KTKRTIGZSA-N
XLogP5.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide?
The IUPAC name of (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide (CID 11638703) is (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(O)CCO.
What is the InChIKey of (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide?
The InChIKey is QINGXEUKNRODNT-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21(24)18-19-22/h9-10,22,24H,2-8,11-19H2,1H3/b10-9-.
What are the key properties of (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide?
(Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide has a molecular weight of 341.54 g/mol, XLogP of 5.23, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide is sourced from PubChem (CID 11638703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).