7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide

C38H76N2O4 — CID 57266771

IUPAC7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCC(O)CCCCCC(=O)NCCNC(=O)CCCCCC(O)CCCCCCCCCCC
InChIInChI=1S/C38H76N2O4/c1-3-5-7-9-11-13-15-17-21-27-35(41)29-23-19-25-31-37(43)39-33-34-40-38(44)32-26-20-24-30-36(42)28-22-18-16-14-12-10-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyUZBCPFSLGAEVIC-UHFFFAOYSA-N
MW625.04 g/mol
LogP9.68
Rot. Bonds35

About 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide

7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide (PubChem CID 57266771) has the molecular formula C38H76N2O4 and a molecular weight of 625.04 g/mol. Its IUPAC name is 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide.

Molecular Properties

Compound Name7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
PubChem CID57266771
Molecular FormulaC38H76N2O4
Molecular Weight625.04 g/mol
Exact Mass624.58
IUPAC Name7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCC(O)CCCCCC(=O)NCCNC(=O)CCCCCC(O)CCCCCCCCCCC
InChIInChI=1S/C38H76N2O4/c1-3-5-7-9-11-13-15-17-21-27-35(41)29-23-19-25-31-37(43)39-33-34-40-38(44)32-26-20-24-30-36(42)28-22-18-16-14-12-10-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyUZBCPFSLGAEVIC-UHFFFAOYSA-N
XLogP9.68
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.04
LogP ≤ 59.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-(16-hydroxyoctadecyl)decanamide
CID 90886549
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
3-(12-hydroxyoctadecanoylamino)-N,N-dimethylpropan-1-amine oxide
CID 87400028
(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide
CID 139749513
N,10-dihydroxyoctadecanamide
CID 146268733
N-[2-(sulfanylamino)ethyl]heptanamide
CID 123216735
N-(4,4-dihydroxybutyl)decanamide
CID 163472337
N,N'-bis(2-aminoethyl)-7,8-didecyltetradecanediamide
CID 89347828
N,N'-bis(2-aminoethyl)-10,11-dioctylicosanediamide
CID 58975602
6-hydroxy-N-(3-triethoxysilylpropyl)undecanamide
CID 90014930

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide?
The IUPAC name of 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide (CID 57266771) is 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide.
What is the SMILES notation for 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide?
The canonical SMILES for 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide is CCCCCCCCCCCC(O)CCCCCC(=O)NCCNC(=O)CCCCCC(O)CCCCCCCCCCC.
What is the InChIKey of 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide?
The InChIKey is UZBCPFSLGAEVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76N2O4/c1-3-5-7-9-11-13-15-17-21-27-35(41)29-23-19-25-31-37(43)39-33-34-40-38(44)32-26-20-24-30-36(42)28-22-18-16-14-12-10-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44).
What are the key properties of 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide?
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide has a molecular weight of 625.04 g/mol, XLogP of 9.68, 35 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide is sourced from PubChem (CID 57266771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).