N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide

C28H57NO4 — CID 22974276

IUPACN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CC(O)CCCCCCC
InChIInChI=1S/C28H57NO4/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-27(32)26(24-30)29-28(33)23-25(31)21-19-17-8-6-4-2/h25-27,30-32H,3-24H2,1-2H3,(H,29,33)/t25?,26-,27+/m0/s1
InChIKeyPVZUMDFPYSTIOA-GDRMZMBQSA-N
MW471.77 g/mol
LogP6.42
Rot. Bonds25

About N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide (PubChem CID 22974276) has the molecular formula C28H57NO4 and a molecular weight of 471.77 g/mol. Its IUPAC name is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide.

Molecular Properties

Compound NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide
PubChem CID22974276
Molecular FormulaC28H57NO4
Molecular Weight471.77 g/mol
Exact Mass471.43
IUPAC NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CC(O)CCCCCCC
InChIInChI=1S/C28H57NO4/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-27(32)26(24-30)29-28(33)23-25(31)21-19-17-8-6-4-2/h25-27,30-32H,3-24H2,1-2H3,(H,29,33)/t25?,26-,27+/m0/s1
InChIKeyPVZUMDFPYSTIOA-GDRMZMBQSA-N
XLogP6.42
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 56.42
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

N-(1,3-dihydroxytriacontan-2-yl)-3-hydroxytetratriacontanamide
CID 138172500
N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide
CID 138131221
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
N-(1,3-dihydroxyhexadecan-2-yl)-3-hydroxyoctacosanamide
CID 138245888
N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide
CID 138273723
N-(1,3-dihydroxyoctacosan-2-yl)-3-hydroxytriacontanamide
CID 138303434
N-(1,3-dihydroxyhenicosan-2-yl)-3-hydroxyhexacosanamide
CID 138217183
N-(1,3-dihydroxyheptacosan-2-yl)-3-hydroxyhexatriacontanamide
CID 138141130
N-(1,3-dihydroxyicosan-2-yl)-3-hydroxytriacontanamide
CID 138125815
N-(1,3-dihydroxynonacosan-2-yl)-3-hydroxyoctadecanamide
CID 138227500

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide?
The IUPAC name of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide (CID 22974276) is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide.
What is the SMILES notation for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide?
The canonical SMILES for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide is CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CC(O)CCCCCCC.
What is the InChIKey of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide?
The InChIKey is PVZUMDFPYSTIOA-GDRMZMBQSA-N. The full InChI is InChI=1S/C28H57NO4/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-27(32)26(24-30)29-28(33)23-25(31)21-19-17-8-6-4-2/h25-27,30-32H,3-24H2,1-2H3,(H,29,33)/t25?,26-,27+/m0/s1.
What are the key properties of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide?
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide has a molecular weight of 471.77 g/mol, XLogP of 6.42, 25 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide is sourced from PubChem (CID 22974276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).