N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C26H27N3O7 — CID 6435606

IUPACN-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC
InChIInChI=1S/C26H27N3O7/c1-32-20-11-6-16(12-21(20)33-2)15-27-29-26(31)17-7-9-19(10-8-17)28-25(30)18-13-22(34-3)24(36-5)23(14-18)35-4/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15-
InChIKeyJFSPJGNRZYTGHJ-DICXZTSXSA-N
MW493.52 g/mol
LogP3.75
Rot. Bonds10

About N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 6435606) has the molecular formula C26H27N3O7 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID6435606
Molecular FormulaC26H27N3O7
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC NameN-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC
InChIInChI=1S/C26H27N3O7/c1-32-20-11-6-16(12-21(20)33-2)15-27-29-26(31)17-7-9-19(10-8-17)28-25(30)18-13-22(34-3)24(36-5)23(14-18)35-4/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15-
InChIKeyJFSPJGNRZYTGHJ-DICXZTSXSA-N
XLogP3.75
TPSA116.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
N-[4-[[(Z)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435593
N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
CID 155805407
[4-[(E)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 3,4,5-trimethoxybenzoate
CID 124544586
[2-methoxy-4-[[[3-[(4-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126231871
[2-ethoxy-4-[(Z)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 6129052
4-(2-methylpropanoylamino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6245269
[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
CID 126230314
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135738409
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 6435606) is N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC.
What is the InChIKey of N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is JFSPJGNRZYTGHJ-DICXZTSXSA-N. The full InChI is InChI=1S/C26H27N3O7/c1-32-20-11-6-16(12-21(20)33-2)15-27-29-26(31)17-7-9-19(10-8-17)28-25(30)18-13-22(34-3)24(36-5)23(14-18)35-4/h6-15H,1-5H3,(H,28,30)(H,29,31)/b27-15-.
What are the key properties of N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 493.52 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 6435606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).