1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

C24H24N2O4 — CID 10111838

IUPAC1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)NCc3cccc(OC)c3)c2)c1
InChIInChI=1S/C24H24N2O4/c1-29-21-10-3-6-17(12-21)15-25-23(27)19-8-5-9-20(14-19)24(28)26-16-18-7-4-11-22(13-18)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyXDBOLPFDJWTESQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.56
Rot. Bonds8

About 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 10111838) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID10111838
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)NCc3cccc(OC)c3)c2)c1
InChIInChI=1S/C24H24N2O4/c1-29-21-10-3-6-17(12-21)15-25-23(27)19-8-5-9-20(14-19)24(28)26-16-18-7-4-11-22(13-18)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyXDBOLPFDJWTESQ-UHFFFAOYSA-N
XLogP3.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (CID 10111838) is 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is COc1cccc(CNC(=O)c2cccc(C(=O)NCc3cccc(OC)c3)c2)c1.
What is the InChIKey of 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is XDBOLPFDJWTESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-29-21-10-3-6-17(12-21)15-25-23(27)19-8-5-9-20(14-19)24(28)26-16-18-7-4-11-22(13-18)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 10111838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).