1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide

C22H20N2O4 — CID 984599

IUPAC1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)23-21(25)15-8-7-9-16(14-15)22(26)24-18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeySNISGTQJRALKBP-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.21
Rot. Bonds6

About 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 984599) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID984599
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)23-21(25)15-8-7-9-16(14-15)22(26)24-18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeySNISGTQJRALKBP-UHFFFAOYSA-N
XLogP4.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.21
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(2-methoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide (CID 984599) is 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide is COc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is SNISGTQJRALKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)23-21(25)15-8-7-9-16(14-15)22(26)24-18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 376.41 g/mol, XLogP of 4.21, 6 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(2-methoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 984599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).