N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide

C14H18INO5 — CID 23248476

IUPACN-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1I)OCCOCCOCCO2
InChIInChI=1S/C14H18INO5/c1-10(17)16-12-9-14-13(8-11(12)15)20-6-4-18-2-3-19-5-7-21-14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyQTACCJBPDUQBEE-UHFFFAOYSA-N
MW407.20 g/mol
LogP2.05
Rot. Bonds1

About N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide

N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide (PubChem CID 23248476) has the molecular formula C14H18INO5 and a molecular weight of 407.20 g/mol. Its IUPAC name is N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide.

Molecular Properties

Compound NameN-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
PubChem CID23248476
Molecular FormulaC14H18INO5
Molecular Weight407.20 g/mol
Exact Mass407.02
IUPAC NameN-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1I)OCCOCCOCCO2
InChIInChI=1S/C14H18INO5/c1-10(17)16-12-9-14-13(8-11(12)15)20-6-4-18-2-3-19-5-7-21-14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyQTACCJBPDUQBEE-UHFFFAOYSA-N
XLogP2.05
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide 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-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide?
The IUPAC name of N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide (CID 23248476) is N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide.
What is the SMILES notation for N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide?
The canonical SMILES for N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide is CC(=O)Nc1cc2c(cc1I)OCCOCCOCCO2.
What is the InChIKey of N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide?
The InChIKey is QTACCJBPDUQBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO5/c1-10(17)16-12-9-14-13(8-11(12)15)20-6-4-18-2-3-19-5-7-21-14/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide?
N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide has a molecular weight of 407.20 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(15-iodo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide is sourced from PubChem (CID 23248476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).