2-(1-hydroxybutan-2-yl)octadec-9-enamide

C22H43NO2 — CID 173264818

IUPAC2-(1-hydroxybutan-2-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(C(N)=O)C(CC)CO
InChIInChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22(23)25)20(4-2)19-24/h11-12,20-21,24H,3-10,13-19H2,1-2H3,(H2,23,25)
InChIKeyZWRRUABAMNSGLQ-UHFFFAOYSA-N
MW353.59 g/mol
LogP5.75
Rot. Bonds18

About 2-(1-hydroxybutan-2-yl)octadec-9-enamide

2-(1-hydroxybutan-2-yl)octadec-9-enamide (PubChem CID 173264818) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-yl)octadec-9-enamide.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-yl)octadec-9-enamide
PubChem CID173264818
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC Name2-(1-hydroxybutan-2-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(C(N)=O)C(CC)CO
InChIInChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22(23)25)20(4-2)19-24/h11-12,20-21,24H,3-10,13-19H2,1-2H3,(H2,23,25)
InChIKeyZWRRUABAMNSGLQ-UHFFFAOYSA-N
XLogP5.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 55.75
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'}

Analyze 2-(1-hydroxybutan-2-yl)octadec-9-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-heptan-3-yloctadec-9-enamide
CID 173151997
2-(1-hydroxypropan-2-yl)octadec-9-enamide
CID 173264917
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
(Z)-2-icosan-2-yldocos-13-enamide
CID 175222534
ethyl (Z)-3-carbamoyl-2-[(Z)-hexadec-7-enyl]nonadec-10-enoate
CID 163211711
2-ethyloctadec-9-enamide
CID 160810733
2-ethyldocos-13-enamide
CID 173006662
2-hexadecylicos-11-enamide
CID 173011844
2-(1-acetamidobutan-2-yl)hexadecanamide
CID 87166621
(Z)-2-aminooctadec-9-enamide
CID 56663673
(E)-2-methyloctadec-9-enamide
CID 19371032
(Z)-N-(3-carbamoyltridecan-2-yl)octadec-9-enamide
CID 175075268

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-yl)octadec-9-enamide?
The IUPAC name of 2-(1-hydroxybutan-2-yl)octadec-9-enamide (CID 173264818) is 2-(1-hydroxybutan-2-yl)octadec-9-enamide.
What is the SMILES notation for 2-(1-hydroxybutan-2-yl)octadec-9-enamide?
The canonical SMILES for 2-(1-hydroxybutan-2-yl)octadec-9-enamide is CCCCCCCCC=CCCCCCCC(C(N)=O)C(CC)CO.
What is the InChIKey of 2-(1-hydroxybutan-2-yl)octadec-9-enamide?
The InChIKey is ZWRRUABAMNSGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22(23)25)20(4-2)19-24/h11-12,20-21,24H,3-10,13-19H2,1-2H3,(H2,23,25).
What are the key properties of 2-(1-hydroxybutan-2-yl)octadec-9-enamide?
2-(1-hydroxybutan-2-yl)octadec-9-enamide has a molecular weight of 353.59 g/mol, XLogP of 5.75, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-yl)octadec-9-enamide is sourced from PubChem (CID 173264818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).