Ceramide NG

C36H73NO3 — CID 5283573

IUPACN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
InChIInChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
InChIKeyKZTJQXAANJHSCE-OIDHKYIRSA-N
MW568.00 g/mol
LogP14.50
Rot. Bonds33

About Ceramide NG

Ceramide NG (PubChem CID 5283573) has the molecular formula C36H73NO3 and a molecular weight of 568.00 g/mol. Its IUPAC name is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide.

Molecular Properties

Compound NameCeramide NG
PubChem CID5283573
Molecular FormulaC36H73NO3
Molecular Weight568.00 g/mol
Exact Mass567.56
IUPAC NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
InChIInChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
InChIKeyKZTJQXAANJHSCE-OIDHKYIRSA-N
XLogP14.50
TPSA69.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms40
Complexity498

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.00
LogP ≤ 514.50
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
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
CerP(d18:0/16:0)
CID 5283582

Frequently Asked Questions

What is the IUPAC name of Ceramide NG?
The IUPAC name of Ceramide NG (CID 5283573) is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide.
What is the SMILES notation for Ceramide NG?
The canonical SMILES for Ceramide NG is CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O.
What is the InChIKey of Ceramide NG?
The InChIKey is KZTJQXAANJHSCE-OIDHKYIRSA-N. The full InChI is InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1.
What are the key properties of Ceramide NG?
Ceramide NG has a molecular weight of 568.00 g/mol, XLogP of 14.50, 33 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ceramide NG is sourced from PubChem (CID 5283573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).