N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide

C32H65NO3 — CID 134753101

IUPACN-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C32H65NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1
InChIKeyNOPKYBAHNNNPJZ-IOWSJCHKSA-N
MW511.88 g/mol
LogP9.01
Rot. Bonds29

About N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide

N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide (PubChem CID 134753101) has the molecular formula C32H65NO3 and a molecular weight of 511.88 g/mol. Its IUPAC name is N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide.

Molecular Properties

Compound NameN-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide
PubChem CID134753101
Molecular FormulaC32H65NO3
Molecular Weight511.88 g/mol
Exact Mass511.50
IUPAC NameN-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C32H65NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1
InChIKeyNOPKYBAHNNNPJZ-IOWSJCHKSA-N
XLogP9.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.88
LogP ≤ 59.01
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-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide?
The IUPAC name of N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide (CID 134753101) is N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide.
What is the SMILES notation for N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide?
The canonical SMILES for N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCC.
What is the InChIKey of N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide?
The InChIKey is NOPKYBAHNNNPJZ-IOWSJCHKSA-N. The full InChI is InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1.
What are the key properties of N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide?
N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide has a molecular weight of 511.88 g/mol, XLogP of 9.01, 29 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1,3-dihydroxytetradecan-2-yl]octadecanamide is sourced from PubChem (CID 134753101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).