2-hydroxy-N-octadecan-2-ylpentadecanamide

C33H67NO2 — CID 139787818

IUPAC2-hydroxy-N-octadecan-2-ylpentadecanamide
SMILESCCCCCCCCCCCCCCCCC(C)NC(=O)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C33H67NO2/c1-4-6-8-10-12-14-16-17-18-20-21-23-25-27-29-31(3)34-33(36)32(35)30-28-26-24-22-19-15-13-11-9-7-5-2/h31-32,35H,4-30H2,1-3H3,(H,34,36)
InChIKeyCNXNQHKKYPIOPE-UHFFFAOYSA-N
MW509.90 g/mol
LogP10.42
Rot. Bonds29

About 2-hydroxy-N-octadecan-2-ylpentadecanamide

2-hydroxy-N-octadecan-2-ylpentadecanamide (PubChem CID 139787818) has the molecular formula C33H67NO2 and a molecular weight of 509.90 g/mol. Its IUPAC name is 2-hydroxy-N-octadecan-2-ylpentadecanamide.

Molecular Properties

Compound Name2-hydroxy-N-octadecan-2-ylpentadecanamide
PubChem CID139787818
Molecular FormulaC33H67NO2
Molecular Weight509.90 g/mol
Exact Mass509.52
IUPAC Name2-hydroxy-N-octadecan-2-ylpentadecanamide
SMILESCCCCCCCCCCCCCCCCC(C)NC(=O)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C33H67NO2/c1-4-6-8-10-12-14-16-17-18-20-21-23-25-27-29-31(3)34-33(36)32(35)30-28-26-24-22-19-15-13-11-9-7-5-2/h31-32,35H,4-30H2,1-3H3,(H,34,36)
InChIKeyCNXNQHKKYPIOPE-UHFFFAOYSA-N
XLogP10.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.90
LogP ≤ 510.42
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,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416
2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide
CID 58241414
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
2-amino-N-octan-2-ylbutanamide
CID 43711439
N-dodecan-2-ylpropanamide
CID 174988669
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxyhentriacontanamide
CID 138201016
N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide
CID 138266188
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide
CID 138312003
N-(1,3-dihydroxytetradecan-2-yl)-2-hydroxynonacosanamide
CID 138246713
N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxydotetracontanamide
CID 138179664
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxyicosanamide
CID 138147990
N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyicosanamide
CID 138190449

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-octadecan-2-ylpentadecanamide?
The IUPAC name of 2-hydroxy-N-octadecan-2-ylpentadecanamide (CID 139787818) is 2-hydroxy-N-octadecan-2-ylpentadecanamide.
What is the SMILES notation for 2-hydroxy-N-octadecan-2-ylpentadecanamide?
The canonical SMILES for 2-hydroxy-N-octadecan-2-ylpentadecanamide is CCCCCCCCCCCCCCCCC(C)NC(=O)C(O)CCCCCCCCCCCCC.
What is the InChIKey of 2-hydroxy-N-octadecan-2-ylpentadecanamide?
The InChIKey is CNXNQHKKYPIOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67NO2/c1-4-6-8-10-12-14-16-17-18-20-21-23-25-27-29-31(3)34-33(36)32(35)30-28-26-24-22-19-15-13-11-9-7-5-2/h31-32,35H,4-30H2,1-3H3,(H,34,36).
What are the key properties of 2-hydroxy-N-octadecan-2-ylpentadecanamide?
2-hydroxy-N-octadecan-2-ylpentadecanamide has a molecular weight of 509.90 g/mol, XLogP of 10.42, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-octadecan-2-ylpentadecanamide is sourced from PubChem (CID 139787818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).