(Z)-N-ethyl-N-hydroxyoctadec-9-enamide

C20H39NO2 — CID 175574437

IUPAC(Z)-N-ethyl-N-hydroxyoctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(O)CC
InChIInChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(23)4-2/h11-12,23H,3-10,13-19H2,1-2H3/b12-11-
InChIKeyAGZSQVVXRDQNFE-QXMHVHEDSA-N
MW325.54 g/mol
LogP6.26
Rot. Bonds16

About (Z)-N-ethyl-N-hydroxyoctadec-9-enamide

(Z)-N-ethyl-N-hydroxyoctadec-9-enamide (PubChem CID 175574437) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is (Z)-N-ethyl-N-hydroxyoctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-N-hydroxyoctadec-9-enamide
PubChem CID175574437
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name(Z)-N-ethyl-N-hydroxyoctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(O)CC
InChIInChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(23)4-2/h11-12,23H,3-10,13-19H2,1-2H3/b12-11-
InChIKeyAGZSQVVXRDQNFE-QXMHVHEDSA-N
XLogP6.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
10-[di(octadec-9-enoyl)amino]-10-oxodecanoic acid
CID 154082750
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
(E)-triacont-15-ene-8,23-dione
CID 11849500
(Z)-N-methoxy-N-methyloctadec-9-enamide
CID 10903483
N-(2-bromoacetyl)-N-octadec-9-enoyloctadec-9-enamide
CID 173264268
(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
CID 174485021
icos-8-enoic acid
CID 53436342
(E)-docos-13-enoic acid
CID 87103770

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N-hydroxyoctadec-9-enamide?
The IUPAC name of (Z)-N-ethyl-N-hydroxyoctadec-9-enamide (CID 175574437) is (Z)-N-ethyl-N-hydroxyoctadec-9-enamide.
What is the SMILES notation for (Z)-N-ethyl-N-hydroxyoctadec-9-enamide?
The canonical SMILES for (Z)-N-ethyl-N-hydroxyoctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(O)CC.
What is the InChIKey of (Z)-N-ethyl-N-hydroxyoctadec-9-enamide?
The InChIKey is AGZSQVVXRDQNFE-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(23)4-2/h11-12,23H,3-10,13-19H2,1-2H3/b12-11-.
What are the key properties of (Z)-N-ethyl-N-hydroxyoctadec-9-enamide?
(Z)-N-ethyl-N-hydroxyoctadec-9-enamide has a molecular weight of 325.54 g/mol, XLogP of 6.26, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N-hydroxyoctadec-9-enamide is sourced from PubChem (CID 175574437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).