7-hydroxy-N-octadecyloctadecanamide

C36H73NO2 — CID 57160535

IUPAC7-hydroxy-N-octadecyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCCCCC(O)CCCCCCCCCCC
InChIInChI=1S/C36H73NO2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-30-34-37-36(39)33-29-26-28-32-35(38)31-27-24-22-20-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3,(H,37,39)
InChIKeyBWHXHWMOKHFAAO-UHFFFAOYSA-N
MW551.99 g/mol
LogP11.60
Rot. Bonds33

About 7-hydroxy-N-octadecyloctadecanamide

7-hydroxy-N-octadecyloctadecanamide (PubChem CID 57160535) has the molecular formula C36H73NO2 and a molecular weight of 551.99 g/mol. Its IUPAC name is 7-hydroxy-N-octadecyloctadecanamide.

Molecular Properties

Compound Name7-hydroxy-N-octadecyloctadecanamide
PubChem CID57160535
Molecular FormulaC36H73NO2
Molecular Weight551.99 g/mol
Exact Mass551.56
IUPAC Name7-hydroxy-N-octadecyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCCCCC(O)CCCCCCCCCCC
InChIInChI=1S/C36H73NO2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-30-34-37-36(39)33-29-26-28-32-35(38)31-27-24-22-20-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3,(H,37,39)
InChIKeyBWHXHWMOKHFAAO-UHFFFAOYSA-N
XLogP11.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.99
LogP ≤ 511.60
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

7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
N-(16-hydroxyoctadecyl)decanamide
CID 90886549
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-octadecyloctadecanamide?
The IUPAC name of 7-hydroxy-N-octadecyloctadecanamide (CID 57160535) is 7-hydroxy-N-octadecyloctadecanamide.
What is the SMILES notation for 7-hydroxy-N-octadecyloctadecanamide?
The canonical SMILES for 7-hydroxy-N-octadecyloctadecanamide is CCCCCCCCCCCCCCCCCCNC(=O)CCCCCC(O)CCCCCCCCCCC.
What is the InChIKey of 7-hydroxy-N-octadecyloctadecanamide?
The InChIKey is BWHXHWMOKHFAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-30-34-37-36(39)33-29-26-28-32-35(38)31-27-24-22-20-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3,(H,37,39).
What are the key properties of 7-hydroxy-N-octadecyloctadecanamide?
7-hydroxy-N-octadecyloctadecanamide has a molecular weight of 551.99 g/mol, XLogP of 11.60, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-octadecyloctadecanamide is sourced from PubChem (CID 57160535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).