3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

C24H24N2O4 — CID 10272573

IUPAC3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)NCc3cccc(OC)c3)c2)cc1
InChIInChI=1S/C24H24N2O4/c1-29-21-11-9-17(10-12-21)15-25-23(27)19-6-4-7-20(14-19)24(28)26-16-18-5-3-8-22(13-18)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAYHWNJYLWMCQRL-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.56
Rot. Bonds8

About 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 10272573) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID10272573
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)NCc3cccc(OC)c3)c2)cc1
InChIInChI=1S/C24H24N2O4/c1-29-21-11-9-17(10-12-21)15-25-23(27)19-6-4-7-20(14-19)24(28)26-16-18-5-3-8-22(13-18)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAYHWNJYLWMCQRL-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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Related Compounds

1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxamide
CID 10136847
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (CID 10272573) is 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is COc1ccc(CNC(=O)c2cccc(C(=O)NCc3cccc(OC)c3)c2)cc1.
What is the InChIKey of 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is AYHWNJYLWMCQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-29-21-11-9-17(10-12-21)15-25-23(27)19-6-4-7-20(14-19)24(28)26-16-18-5-3-8-22(13-18)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-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 3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 10272573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).