N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide

C35H71NO4 — CID 22001109

IUPACN-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide
SMILESCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)NCC(O)CO
InChIInChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(39)33(35(40)36-30-32(38)31-37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)
InChIKeyFEJODRJOFFPPSC-UHFFFAOYSA-N
MW569.96 g/mol
LogP9.01
Rot. Bonds32

About N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide

N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide (PubChem CID 22001109) has the molecular formula C35H71NO4 and a molecular weight of 569.96 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide
PubChem CID22001109
Molecular FormulaC35H71NO4
Molecular Weight569.96 g/mol
Exact Mass569.54
IUPAC NameN-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide
SMILESCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)NCC(O)CO
InChIInChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(39)33(35(40)36-30-32(38)31-37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)
InChIKeyFEJODRJOFFPPSC-UHFFFAOYSA-N
XLogP9.01
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.96
LogP ≤ 59.01
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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide (CID 22001109) is N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide is CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide?
The InChIKey is FEJODRJOFFPPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(39)33(35(40)36-30-32(38)31-37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40).
What are the key properties of N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide?
N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide has a molecular weight of 569.96 g/mol, XLogP of 9.01, 32 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-hydroxy-2-tetradecyloctadecanamide is sourced from PubChem (CID 22001109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).