[2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate

C32H29N3O7 — CID 126003783

IUPAC[2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N/N=C\c2ccccc2OC(=O)c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C32H29N3O7/c1-20-10-9-12-21(16-20)32(38)42-26-15-8-5-11-22(26)19-33-35-31(37)24-13-6-7-14-25(24)34-30(36)23-17-27(39-2)29(41-4)28(18-23)40-3/h5-19H,1-4H3,(H,34,36)(H,35,37)/b33-19-
InChIKeyLKYIJWVJHDZIHZ-APTWKGOFSA-N
MW567.60 g/mol
LogP5.26
Rot. Bonds10

About [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate

[2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate (PubChem CID 126003783) has the molecular formula C32H29N3O7 and a molecular weight of 567.60 g/mol. Its IUPAC name is [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate.

Molecular Properties

Compound Name[2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
PubChem CID126003783
Molecular FormulaC32H29N3O7
Molecular Weight567.60 g/mol
Exact Mass567.20
IUPAC Name[2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N/N=C\c2ccccc2OC(=O)c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C32H29N3O7/c1-20-10-9-12-21(16-20)32(38)42-26-15-8-5-11-22(26)19-33-35-31(37)24-13-6-7-14-25(24)34-30(36)23-17-27(39-2)29(41-4)28(18-23)40-3/h5-19H,1-4H3,(H,34,36)(H,35,37)/b33-19-
InChIKeyLKYIJWVJHDZIHZ-APTWKGOFSA-N
XLogP5.26
TPSA124.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.60
LogP ≤ 55.26
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[(Z)-[[2-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126003145
[4-bromo-2-[(Z)-[[2-[(4-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126003370
[4-bromo-2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126007217
[2-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126230149
[4-bromo-2-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126005993
N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 137101903
[2-[(Z)-[[2-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 126003559
[2-[(E)-3-[2-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]-3-oxoprop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126020848
[2-nitro-6-[(E)-[[4-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126228381
[4-bromo-2-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126006106
[2-[(E)-3-[2-[(E)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenoxy]-3-oxoprop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126012969
[2-[[[3-[(4-bromobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126233949

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate?
The IUPAC name of [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate (CID 126003783) is [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate.
What is the SMILES notation for [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate?
The canonical SMILES for [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate is COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C\c2ccccc2OC(=O)c2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate?
The InChIKey is LKYIJWVJHDZIHZ-APTWKGOFSA-N. The full InChI is InChI=1S/C32H29N3O7/c1-20-10-9-12-21(16-20)32(38)42-26-15-8-5-11-22(26)19-33-35-31(37)24-13-6-7-14-25(24)34-30(36)23-17-27(39-2)29(41-4)28(18-23)40-3/h5-19H,1-4H3,(H,34,36)(H,35,37)/b33-19-.
What are the key properties of [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate?
[2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate has a molecular weight of 567.60 g/mol, XLogP of 5.26, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate is sourced from PubChem (CID 126003783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).