1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide

C23H22N2O4 — CID 109049317

IUPAC1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C)cc2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-15-6-4-5-7-19(15)25-23(27)17-10-8-16(9-11-17)22(26)24-18-12-13-20(28-2)21(14-18)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeySEXQFALGVPNZBM-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.52
Rot. Bonds6

About 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide

1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049317) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049317
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C)cc2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-15-6-4-5-7-19(15)25-23(27)17-10-8-16(9-11-17)22(26)24-18-12-13-20(28-2)21(14-18)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeySEXQFALGVPNZBM-UHFFFAOYSA-N
XLogP4.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
3,4-dimethoxy-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 881520
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide (CID 109049317) is 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C)cc2)cc1OC.
What is the InChIKey of 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is SEXQFALGVPNZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-6-4-5-7-19(15)25-23(27)17-10-8-16(9-11-17)22(26)24-18-12-13-20(28-2)21(14-18)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).