2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide

C31H45NO8 — CID 10792957

IUPAC2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide
SMILESCCCCCCCCCCC1(OCC(=O)NO)COc2ccccc2OCCOCCOc2ccccc2OC1
InChIInChI=1S/C31H45NO8/c1-2-3-4-5-6-7-8-13-18-31(40-23-30(33)32-34)24-38-28-16-11-9-14-26(28)36-21-19-35-20-22-37-27-15-10-12-17-29(27)39-25-31/h9-12,14-17,34H,2-8,13,18-25H2,1H3,(H,32,33)
InChIKeyJNGGOZJYCFRIPW-UHFFFAOYSA-N
MW559.70 g/mol
LogP5.72
Rot. Bonds12

About 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide

2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide (PubChem CID 10792957) has the molecular formula C31H45NO8 and a molecular weight of 559.70 g/mol. Its IUPAC name is 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide
PubChem CID10792957
Molecular FormulaC31H45NO8
Molecular Weight559.70 g/mol
Exact Mass559.31
IUPAC Name2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide
SMILESCCCCCCCCCCC1(OCC(=O)NO)COc2ccccc2OCCOCCOc2ccccc2OC1
InChIInChI=1S/C31H45NO8/c1-2-3-4-5-6-7-8-13-18-31(40-23-30(33)32-34)24-38-28-16-11-9-14-26(28)36-21-19-35-20-22-37-27-15-10-12-17-29(27)39-25-31/h9-12,14-17,34H,2-8,13,18-25H2,1H3,(H,32,33)
InChIKeyJNGGOZJYCFRIPW-UHFFFAOYSA-N
XLogP5.72
TPSA104.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.70
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide 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 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide (CID 10792957) is 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide is CCCCCCCCCCC1(OCC(=O)NO)COc2ccccc2OCCOCCOc2ccccc2OC1.
What is the InChIKey of 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide?
The InChIKey is JNGGOZJYCFRIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45NO8/c1-2-3-4-5-6-7-8-13-18-31(40-23-30(33)32-34)24-38-28-16-11-9-14-26(28)36-21-19-35-20-22-37-27-15-10-12-17-29(27)39-25-31/h9-12,14-17,34H,2-8,13,18-25H2,1H3,(H,32,33).
What are the key properties of 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide?
2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide has a molecular weight of 559.70 g/mol, XLogP of 5.72, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-hydroxyacetamide is sourced from PubChem (CID 10792957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).