2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide

C26H27N3O4 — CID 23107625

IUPAC2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cc2C(=O)N/N=C/c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C26H27N3O4/c1-16-6-10-22(28-25(30)20-9-11-23(32-4)24(14-20)33-5)21(12-16)26(31)29-27-15-19-8-7-17(2)18(3)13-19/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15+
InChIKeyGXCJIMAFCNABQD-JFLMPSFJSA-N
MW445.52 g/mol
LogP4.65
Rot. Bonds7

About 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide

2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide (PubChem CID 23107625) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide
PubChem CID23107625
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cc2C(=O)N/N=C/c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C26H27N3O4/c1-16-6-10-22(28-25(30)20-9-11-23(32-4)24(14-20)33-5)21(12-16)26(31)29-27-15-19-8-7-17(2)18(3)13-19/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15+
InChIKeyGXCJIMAFCNABQD-JFLMPSFJSA-N
XLogP4.65
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-chloro-2-[[(4-methylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66637861
N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66638397
N-[4-bromo-2-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 23107340
2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
CID 66638055
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide
CID 23107796
N-[4-bromo-2-[(pyridin-3-ylmethylideneamino)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66637300
N'-[(3,4-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 5078309
2-chloro-N-[(Z)-(4-methoxy-3-methylphenyl)methylideneamino]-4-methylbenzamide
CID 126060129
N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 110509397
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide (CID 23107625) is 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide is COc1ccc(C(=O)Nc2ccc(C)cc2C(=O)N/N=C/c2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide?
The InChIKey is GXCJIMAFCNABQD-JFLMPSFJSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-16-6-10-22(28-25(30)20-9-11-23(32-4)24(14-20)33-5)21(12-16)26(31)29-27-15-19-8-7-17(2)18(3)13-19/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15+.
What are the key properties of 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide?
2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide has a molecular weight of 445.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide is sourced from PubChem (CID 23107625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).