4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

C25H25N3O6 — CID 126011349

IUPAC4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1
InChIInChI=1S/C25H25N3O6/c1-31-19-11-9-18(10-12-19)25(30)28-26-15-17-8-13-22(23(14-17)33-3)34-16-24(29)27-20-6-4-5-7-21(20)32-2/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)/b26-15+
InChIKeyBRJXOINZRZHJCR-CVKSISIWSA-N
MW463.49 g/mol
LogP3.49
Rot. Bonds10

About 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (PubChem CID 126011349) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
PubChem CID126011349
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1
InChIInChI=1S/C25H25N3O6/c1-31-19-11-9-18(10-12-19)25(30)28-26-15-17-8-13-22(23(14-17)33-3)34-16-24(29)27-20-6-4-5-7-21(20)32-2/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)/b26-15+
InChIKeyBRJXOINZRZHJCR-CVKSISIWSA-N
XLogP3.49
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.49
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

4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126015220
N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126024494
N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126020010
N-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1276215
N-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126014699
[2-methoxy-4-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6301184
N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 126015806
5-bromo-2-hydroxy-N-[(Z)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126072144
2-methoxy-N-[(Z)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126016968
2-[2-(carboxylatomethoxy)-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 4617566
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methylbenzamide
CID 126014488
4-methoxy-N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012880

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (CID 126011349) is 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The InChIKey is BRJXOINZRZHJCR-CVKSISIWSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-31-19-11-9-18(10-12-19)25(30)28-26-15-17-8-13-22(23(14-17)33-3)34-16-24(29)27-20-6-4-5-7-21(20)32-2/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)/b26-15+.
What are the key properties of 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide has a molecular weight of 463.49 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 126011349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).