3-hydroxy-N-octadecan-2-ylhexadecanamide

C34H69NO2 — CID 174499474

IUPAC3-hydroxy-N-octadecan-2-ylhexadecanamide
SMILESCCCCCCCCCCCCCCCCC(C)NC(=O)CC(O)CCCCCCCCCCCCC
InChIInChI=1S/C34H69NO2/c1-4-6-8-10-12-14-16-17-18-20-21-23-25-27-29-32(3)35-34(37)31-33(36)30-28-26-24-22-19-15-13-11-9-7-5-2/h32-33,36H,4-31H2,1-3H3,(H,35,37)
InChIKeyQLYCSUYQABVUMN-UHFFFAOYSA-N
MW523.93 g/mol
LogP10.81
Rot. Bonds30

About 3-hydroxy-N-octadecan-2-ylhexadecanamide

3-hydroxy-N-octadecan-2-ylhexadecanamide (PubChem CID 174499474) has the molecular formula C34H69NO2 and a molecular weight of 523.93 g/mol. Its IUPAC name is 3-hydroxy-N-octadecan-2-ylhexadecanamide.

Molecular Properties

Compound Name3-hydroxy-N-octadecan-2-ylhexadecanamide
PubChem CID174499474
Molecular FormulaC34H69NO2
Molecular Weight523.93 g/mol
Exact Mass523.53
IUPAC Name3-hydroxy-N-octadecan-2-ylhexadecanamide
SMILESCCCCCCCCCCCCCCCCC(C)NC(=O)CC(O)CCCCCCCCCCCCC
InChIInChI=1S/C34H69NO2/c1-4-6-8-10-12-14-16-17-18-20-21-23-25-27-29-32(3)35-34(37)31-33(36)30-28-26-24-22-19-15-13-11-9-7-5-2/h32-33,36H,4-31H2,1-3H3,(H,35,37)
InChIKeyQLYCSUYQABVUMN-UHFFFAOYSA-N
XLogP10.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.93
LogP ≤ 510.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-dodecan-2-ylpropanamide
CID 174988669
3-amino-N-heptan-2-ylbutanamide
CID 60836862
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxypentacosanamide
CID 138240518
N-(1,3-dihydroxyoctacosan-2-yl)-3-hydroxytritriacontanamide
CID 138132770
N-(1,3-dihydroxydocosan-2-yl)-3-hydroxyoctadecanamide
CID 138171691
N-(1,3-dihydroxypentacosan-2-yl)-3-hydroxypentadecanamide
CID 138277613
N-(1,3-dihydroxydocosan-2-yl)-3-hydroxynonadecanamide
CID 138159959
N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide
CID 138132813
N-(1,3-dihydroxyoctacosan-2-yl)-3-hydroxydocosanamide
CID 138280375
N-(1,3-dihydroxynonacosan-2-yl)-3-hydroxyheptacosanamide
CID 138122389

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-octadecan-2-ylhexadecanamide?
The IUPAC name of 3-hydroxy-N-octadecan-2-ylhexadecanamide (CID 174499474) is 3-hydroxy-N-octadecan-2-ylhexadecanamide.
What is the SMILES notation for 3-hydroxy-N-octadecan-2-ylhexadecanamide?
The canonical SMILES for 3-hydroxy-N-octadecan-2-ylhexadecanamide is CCCCCCCCCCCCCCCCC(C)NC(=O)CC(O)CCCCCCCCCCCCC.
What is the InChIKey of 3-hydroxy-N-octadecan-2-ylhexadecanamide?
The InChIKey is QLYCSUYQABVUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69NO2/c1-4-6-8-10-12-14-16-17-18-20-21-23-25-27-29-32(3)35-34(37)31-33(36)30-28-26-24-22-19-15-13-11-9-7-5-2/h32-33,36H,4-31H2,1-3H3,(H,35,37).
What are the key properties of 3-hydroxy-N-octadecan-2-ylhexadecanamide?
3-hydroxy-N-octadecan-2-ylhexadecanamide has a molecular weight of 523.93 g/mol, XLogP of 10.81, 30 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-octadecan-2-ylhexadecanamide is sourced from PubChem (CID 174499474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).