1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide

C36H32N2O4 — CID 10144171

IUPAC1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2cccc(C(=O)N(Cc3ccccc3)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C36H32N2O4/c1-41-33-20-16-31(17-21-33)37(25-27-10-5-3-6-11-27)35(39)29-14-9-15-30(24-29)36(40)38(26-28-12-7-4-8-13-28)32-18-22-34(42-2)23-19-32/h3-24H,25-26H2,1-2H3
InChIKeyYQAAAOUXJPXAIV-UHFFFAOYSA-N
MW556.66 g/mol
LogP7.40
Rot. Bonds10

About 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide

1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 10144171) has the molecular formula C36H32N2O4 and a molecular weight of 556.66 g/mol. Its IUPAC name is 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID10144171
Molecular FormulaC36H32N2O4
Molecular Weight556.66 g/mol
Exact Mass556.24
IUPAC Name1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2cccc(C(=O)N(Cc3ccccc3)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C36H32N2O4/c1-41-33-20-16-31(17-21-33)37(25-27-10-5-3-6-11-27)35(39)29-14-9-15-30(24-29)36(40)38(26-28-12-7-4-8-13-28)32-18-22-34(42-2)23-19-32/h3-24H,25-26H2,1-2H3
InChIKeyYQAAAOUXJPXAIV-UHFFFAOYSA-N
XLogP7.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052547
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108
N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052545
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 134012327
3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 46045658
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
3-[benzyl-[(4-methoxyphenyl)methyl]amino]benzoic acid
CID 11725248
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide (CID 10144171) is 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide is COc1ccc(N(Cc2ccccc2)C(=O)c2cccc(C(=O)N(Cc3ccccc3)c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is YQAAAOUXJPXAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O4/c1-41-33-20-16-31(17-21-33)37(25-27-10-5-3-6-11-27)35(39)29-14-9-15-30(24-29)36(40)38(26-28-12-7-4-8-13-28)32-18-22-34(42-2)23-19-32/h3-24H,25-26H2,1-2H3.
What are the key properties of 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide?
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 556.66 g/mol, XLogP of 7.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 10144171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).