N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide

C15H11NO5 — CID 887181

IUPACN-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11NO5/c17-15(9-1-3-11-13(5-9)20-7-18-11)16-10-2-4-12-14(6-10)21-8-19-12/h1-6H,7-8H2,(H,16,17)
InChIKeyWNVXVNNEPBOOBI-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.40
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 887181) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID887181
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11NO5/c17-15(9-1-3-11-13(5-9)20-7-18-11)16-10-2-4-12-14(6-10)21-8-19-12/h1-6H,7-8H2,(H,16,17)
InChIKeyWNVXVNNEPBOOBI-UHFFFAOYSA-N
XLogP2.40
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide 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-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide (CID 887181) is N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is WNVXVNNEPBOOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c17-15(9-1-3-11-13(5-9)20-7-18-11)16-10-2-4-12-14(6-10)21-8-19-12/h1-6H,7-8H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 887181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).