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

C33H67NO3 — CID 132994093

IUPACN-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
SMILESCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC
InChIInChI=1S/C33H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-33(37)34-31(30-35)32(36)28-26-24-22-20-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,34,37)
InChIKeyLKJQHVMRIXMXME-UHFFFAOYSA-N
MW525.90 g/mol
LogP9.40
Rot. Bonds30

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

N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide (PubChem CID 132994093) has the molecular formula C33H67NO3 and a molecular weight of 525.90 g/mol. Its IUPAC name is N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
PubChem CID132994093
Molecular FormulaC33H67NO3
Molecular Weight525.90 g/mol
Exact Mass525.51
IUPAC NameN-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
SMILESCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC
InChIInChI=1S/C33H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-33(37)34-31(30-35)32(36)28-26-24-22-20-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,34,37)
InChIKeyLKJQHVMRIXMXME-UHFFFAOYSA-N
XLogP9.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.90
LogP ≤ 59.40
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-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
N-(1,3-dihydroxyhexacosan-2-yl)pentatriacontanamide
CID 138142315

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide?
The IUPAC name of N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide (CID 132994093) is N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide.
What is the SMILES notation for N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide?
The canonical SMILES for N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide is CCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide?
The InChIKey is LKJQHVMRIXMXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-33(37)34-31(30-35)32(36)28-26-24-22-20-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,34,37).
What are the key properties of N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide?
N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide has a molecular weight of 525.90 g/mol, XLogP of 9.40, 30 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide is sourced from PubChem (CID 132994093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).