2-hydroxy-N-octadec-9-enyloctadecanamide

C36H71NO2 — CID 173109988

IUPAC2-hydroxy-N-octadec-9-enyloctadecanamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C36H71NO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-37-36(39)35(38)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35,38H,3-16,18,20-34H2,1-2H3,(H,37,39)
InChIKeyZPHQHRGUEJRTQO-UHFFFAOYSA-N
MW549.97 g/mol
LogP11.37
Rot. Bonds32

About 2-hydroxy-N-octadec-9-enyloctadecanamide

2-hydroxy-N-octadec-9-enyloctadecanamide (PubChem CID 173109988) has the molecular formula C36H71NO2 and a molecular weight of 549.97 g/mol. Its IUPAC name is 2-hydroxy-N-octadec-9-enyloctadecanamide.

Molecular Properties

Compound Name2-hydroxy-N-octadec-9-enyloctadecanamide
PubChem CID173109988
Molecular FormulaC36H71NO2
Molecular Weight549.97 g/mol
Exact Mass549.55
IUPAC Name2-hydroxy-N-octadec-9-enyloctadecanamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C36H71NO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-37-36(39)35(38)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35,38H,3-16,18,20-34H2,1-2H3,(H,37,39)
InChIKeyZPHQHRGUEJRTQO-UHFFFAOYSA-N
XLogP11.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.97
LogP ≤ 511.37
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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Related Compounds

N-ethyl-2-hydroxyoctadec-9-enamide
CID 54116663
(2R)-2-hydroxy-N-octadec-9-enylpropanamide
CID 123550405
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(E)-2-hydroxyicos-11-enoic acid
CID 87314905
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
2-hydroxydocosa-9,13-dienoic acid
CID 139771533
2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
CID 76712407
(Z)-N-(1,3-dihydroxydocosan-2-yl)-2-hydroxyoctadec-11-enamide
CID 138220481
(Z)-N-(1,3-dihydroxyoctadecan-2-yl)-2-hydroxyheptacos-12-enamide
CID 138192321
(Z)-N-(1,3-dihydroxytetracosan-2-yl)-2-hydroxyheptacos-12-enamide
CID 138188374

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-octadec-9-enyloctadecanamide?
The IUPAC name of 2-hydroxy-N-octadec-9-enyloctadecanamide (CID 173109988) is 2-hydroxy-N-octadec-9-enyloctadecanamide.
What is the SMILES notation for 2-hydroxy-N-octadec-9-enyloctadecanamide?
The canonical SMILES for 2-hydroxy-N-octadec-9-enyloctadecanamide is CCCCCCCCC=CCCCCCCCCNC(=O)C(O)CCCCCCCCCCCCCCCC.
What is the InChIKey of 2-hydroxy-N-octadec-9-enyloctadecanamide?
The InChIKey is ZPHQHRGUEJRTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H71NO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-37-36(39)35(38)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35,38H,3-16,18,20-34H2,1-2H3,(H,37,39).
What are the key properties of 2-hydroxy-N-octadec-9-enyloctadecanamide?
2-hydroxy-N-octadec-9-enyloctadecanamide has a molecular weight of 549.97 g/mol, XLogP of 11.37, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-octadec-9-enyloctadecanamide is sourced from PubChem (CID 173109988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).