N-(1,3-dihydroxyicosan-2-yl)nonadecanamide

C39H79NO3 — CID 132994670

IUPACN-(1,3-dihydroxyicosan-2-yl)nonadecanamide
SMILESCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H79NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,40,43)
InChIKeyFUUHWXURYPPTCZ-UHFFFAOYSA-N
MW610.07 g/mol
LogP11.74
Rot. Bonds36

About N-(1,3-dihydroxyicosan-2-yl)nonadecanamide

N-(1,3-dihydroxyicosan-2-yl)nonadecanamide (PubChem CID 132994670) has the molecular formula C39H79NO3 and a molecular weight of 610.07 g/mol. Its IUPAC name is N-(1,3-dihydroxyicosan-2-yl)nonadecanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxyicosan-2-yl)nonadecanamide
PubChem CID132994670
Molecular FormulaC39H79NO3
Molecular Weight610.07 g/mol
Exact Mass609.61
IUPAC NameN-(1,3-dihydroxyicosan-2-yl)nonadecanamide
SMILESCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H79NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,40,43)
InChIKeyFUUHWXURYPPTCZ-UHFFFAOYSA-N
XLogP11.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.07
LogP ≤ 511.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dihydroxynonadecan-2-yl)triacontanamide
CID 138226713
N-[(2S,3R)-1,3-dihydroxyhenicosan-2-yl]octadecanamide
CID 134766399
N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
CID 132994093
N-(1,3-dihydroxyhexadecan-2-yl)hexadecanamide
CID 18006680
N-(1,3-dihydroxynonacosan-2-yl)heptadecanamide
CID 138282108
N-(1,3-dihydroxyicosan-2-yl)octatriacontanamide
CID 138249759
N-(1,3-dihydroxytricosan-2-yl)dotetracontanamide
CID 138129007
N-(1,3-dihydroxyhexacosan-2-yl)henicosanamide
CID 138311427
N-(1,3-dihydroxytriacontan-2-yl)hexadecanamide
CID 138180792
N-(1,3-dihydroxyheptadecan-2-yl)octacosanamide
CID 138221385
N-(1,3-dihydroxytetradecan-2-yl)hentriacontanamide
CID 138137610
N-(1,3-dihydroxyoctacosan-2-yl)hexadecanamide
CID 138148821

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxyicosan-2-yl)nonadecanamide?
The IUPAC name of N-(1,3-dihydroxyicosan-2-yl)nonadecanamide (CID 132994670) is N-(1,3-dihydroxyicosan-2-yl)nonadecanamide.
What is the SMILES notation for N-(1,3-dihydroxyicosan-2-yl)nonadecanamide?
The canonical SMILES for N-(1,3-dihydroxyicosan-2-yl)nonadecanamide is CCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxyicosan-2-yl)nonadecanamide?
The InChIKey is FUUHWXURYPPTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H79NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,40,43).
What are the key properties of N-(1,3-dihydroxyicosan-2-yl)nonadecanamide?
N-(1,3-dihydroxyicosan-2-yl)nonadecanamide has a molecular weight of 610.07 g/mol, XLogP of 11.74, 36 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxyicosan-2-yl)nonadecanamide is sourced from PubChem (CID 132994670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).