20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide

C43H86N2O5 — CID 87382092

IUPAC20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCO)NCC(O)CNC(=O)CCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C43H86N2O5/c46-37-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-42(49)44-39-41(48)40-45-43(50)36-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-38-47/h41,46-48H,1-40H2,(H,44,49)(H,45,50)
InChIKeyNRBMEWFKOYORKV-UHFFFAOYSA-N
MW711.17 g/mol
LogP10.61
Rot. Bonds42

About 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide

20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide (PubChem CID 87382092) has the molecular formula C43H86N2O5 and a molecular weight of 711.17 g/mol. Its IUPAC name is 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide.

Molecular Properties

Compound Name20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
PubChem CID87382092
Molecular FormulaC43H86N2O5
Molecular Weight711.17 g/mol
Exact Mass710.65
IUPAC Name20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCO)NCC(O)CNC(=O)CCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C43H86N2O5/c46-37-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-42(49)44-39-41(48)40-45-43(50)36-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-38-47/h41,46-48H,1-40H2,(H,44,49)(H,45,50)
InChIKeyNRBMEWFKOYORKV-UHFFFAOYSA-N
XLogP10.61
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds42
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.17
LogP ≤ 510.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-5-hydroxypentanamide
CID 79208714
N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide
CID 156612713
N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
CID 106288862
5-chloro-N-(2,3-dihydroxypropyl)pentanamide
CID 66168263
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
4-(decanoylamino)-3-hydroxybutanoic acid
CID 23163718
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
N,16-dihydroxyhexadecanamide
CID 87686064
[16-[[2-hydroxy-3-(octanoylamino)propyl]amino]-16-oxohexadecyl] octanoate
CID 153483284
[10-[[3-(decanoylamino)-2-hydroxypropyl]amino]-10-oxodecyl] hexadecanoate
CID 147853760
N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
CID 66168913
12-hydroxydodecanehydrazide
CID 12718243

Frequently Asked Questions

What is the IUPAC name of 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide?
The IUPAC name of 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide (CID 87382092) is 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide.
What is the SMILES notation for 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide?
The canonical SMILES for 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide is O=C(CCCCCCCCCCCCCCCCCCCO)NCC(O)CNC(=O)CCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide?
The InChIKey is NRBMEWFKOYORKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H86N2O5/c46-37-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-42(49)44-39-41(48)40-45-43(50)36-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-38-47/h41,46-48H,1-40H2,(H,44,49)(H,45,50).
What are the key properties of 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide?
20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide has a molecular weight of 711.17 g/mol, XLogP of 10.61, 42 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide is sourced from PubChem (CID 87382092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).