N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide

C24H45NO7 — CID 162422403

IUPACN-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)NC=O
InChIInChI=1S/C24H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27)19(25-18-26)16-31-24-23(30)22(29)21(28)17-32-24/h14-15,18-24,27-30H,2-13,16-17H2,1H3,(H,25,26)/b15-14+/t19-,20+,21+,22-,23+,24+/m0/s1
InChIKeyVFBHIYHJKUAKLM-WSPPKIGHSA-N
MW459.62 g/mol
LogP2.17
Rot. Bonds19

About N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide

N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide (PubChem CID 162422403) has the molecular formula C24H45NO7 and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide
PubChem CID162422403
Molecular FormulaC24H45NO7
Molecular Weight459.62 g/mol
Exact Mass459.32
IUPAC NameN-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)NC=O
InChIInChI=1S/C24H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27)19(25-18-26)16-31-24-23(30)22(29)21(28)17-32-24/h14-15,18-24,27-30H,2-13,16-17H2,1H3,(H,25,26)/b15-14+/t19-,20+,21+,22-,23+,24+/m0/s1
InChIKeyVFBHIYHJKUAKLM-WSPPKIGHSA-N
XLogP2.17
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 52.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide?
The IUPAC name of N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide (CID 162422403) is N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide.
What is the SMILES notation for N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide?
The canonical SMILES for N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide is CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)NC=O.
What is the InChIKey of N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide?
The InChIKey is VFBHIYHJKUAKLM-WSPPKIGHSA-N. The full InChI is InChI=1S/C24H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27)19(25-18-26)16-31-24-23(30)22(29)21(28)17-32-24/h14-15,18-24,27-30H,2-13,16-17H2,1H3,(H,25,26)/b15-14+/t19-,20+,21+,22-,23+,24+/m0/s1.
What are the key properties of N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide?
N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide has a molecular weight of 459.62 g/mol, XLogP of 2.17, 19 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoctadec-4-en-2-yl]formamide is sourced from PubChem (CID 162422403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).