1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide

C24H20N2O6 — CID 1016400

IUPAC1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H20N2O6/c27-23(25-11-15-4-6-19-21(8-15)31-13-29-19)17-2-1-3-18(10-17)24(28)26-12-16-5-7-20-22(9-16)32-14-30-20/h1-10H,11-14H2,(H,25,27)(H,26,28)
InChIKeyPQDSLWSIZBTHRV-UHFFFAOYSA-N
MW432.43 g/mol
LogP3.00
Rot. Bonds6

About 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 1016400) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID1016400
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H20N2O6/c27-23(25-11-15-4-6-19-21(8-15)31-13-29-19)17-2-1-3-18(10-17)24(28)26-12-16-5-7-20-22(9-16)32-14-30-20/h1-10H,11-14H2,(H,25,27)(H,26,28)
InChIKeyPQDSLWSIZBTHRV-UHFFFAOYSA-N
XLogP3.00
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide (CID 1016400) is 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is PQDSLWSIZBTHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c27-23(25-11-15-4-6-19-21(8-15)31-13-29-19)17-2-1-3-18(10-17)24(28)26-12-16-5-7-20-22(9-16)32-14-30-20/h1-10H,11-14H2,(H,25,27)(H,26,28).
What are the key properties of 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 432.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 1016400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).