2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide

C26H27N3O6 — CID 23107796

IUPAC2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N/N=C/c2ccccc2C)cc1OC
InChIInChI=1S/C26H27N3O6/c1-16-8-6-7-9-18(16)15-27-29-26(31)19-13-23(34-4)24(35-5)14-20(19)28-25(30)17-10-11-21(32-2)22(12-17)33-3/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15+
InChIKeyLLMYEZKCUQFPET-JFLMPSFJSA-N
MW477.52 g/mol
LogP4.05
Rot. Bonds9

About 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide

2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide (PubChem CID 23107796) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide
PubChem CID23107796
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N/N=C/c2ccccc2C)cc1OC
InChIInChI=1S/C26H27N3O6/c1-16-8-6-7-9-18(16)15-27-29-26(31)19-13-23(34-4)24(35-5)14-20(19)28-25(30)17-10-11-21(32-2)22(12-17)33-3/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15+
InChIKeyLLMYEZKCUQFPET-JFLMPSFJSA-N
XLogP4.05
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66638397
3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
CID 9232674
2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide
CID 23107625
N-[4-chloro-2-[[(4-methylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66637861
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 5008177
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[2-[[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 136648311
N-[4-chloro-2-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 23108097
N-[4-chloro-2-[[(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66637959
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide (CID 23107796) is 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide is COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N/N=C/c2ccccc2C)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide?
The InChIKey is LLMYEZKCUQFPET-JFLMPSFJSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-16-8-6-7-9-18(16)15-27-29-26(31)19-13-23(34-4)24(35-5)14-20(19)28-25(30)17-10-11-21(32-2)22(12-17)33-3/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15+.
What are the key properties of 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide?
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide has a molecular weight of 477.52 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 23107796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).