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

C32H65NO3 — CID 10255824

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

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

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide (PubChem CID 10255824) has the molecular formula C32H65NO3 and a molecular weight of 511.88 g/mol. Its IUPAC name is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide
PubChem CID10255824
Molecular FormulaC32H65NO3
Molecular Weight511.88 g/mol
Exact Mass511.50
IUPAC NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1
InChIKeyUDTSZXVRDXQARY-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

Ceramide 3
CID 9898642
Ceramide NG
CID 5283573
N-Palmitoyldihydrosphingomyelin
CID 9939965
Cer(d18:0/26:0)
CID 644245
N-(hexadecanoyl)-sphinganine
CID 5283572
C20 Dihydroceramide
CID 5283574
N-(docosanoyl)-sphinganine
CID 5283575
N-tetracosanoylsphinganine
CID 5283577
SM(d18:0/24:0)
CID 44260134
SM(d18:0/14:0)
CID 44260138
Hydroxypalmitoyl Sphinganine
CID 9959390
Ceramide AP
CID 44625889

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide?
The IUPAC name of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide (CID 10255824) is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide.
What is the SMILES notation for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide?
The canonical SMILES for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide is CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC.
What is the InChIKey of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide?
The InChIKey is UDTSZXVRDXQARY-IOWSJCHKSA-N. The full InChI is InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/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-dihydroxyoctadecan-2-yl]tetradecanamide?
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide 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-dihydroxyoctadecan-2-yl]tetradecanamide is sourced from PubChem (CID 10255824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).