[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate

C30H26N2O4 — CID 6116646

IUPAC[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
SMILESCc1ccc(COc2ccc(C(=O)N/N=C\c3ccc(OC(=O)c4ccccc4C)cc3)cc2)cc1
InChIInChI=1S/C30H26N2O4/c1-21-7-9-24(10-8-21)20-35-26-17-13-25(14-18-26)29(33)32-31-19-23-11-15-27(16-12-23)36-30(34)28-6-4-3-5-22(28)2/h3-19H,20H2,1-2H3,(H,32,33)/b31-19-
InChIKeyUWMXJJIEUGMKHC-DXJNIWACSA-N
MW478.55 g/mol
LogP5.87
Rot. Bonds8

About [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate

[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate (PubChem CID 6116646) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate.

Molecular Properties

Compound Name[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
PubChem CID6116646
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Name[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
SMILESCc1ccc(COc2ccc(C(=O)N/N=C\c3ccc(OC(=O)c4ccccc4C)cc3)cc2)cc1
InChIInChI=1S/C30H26N2O4/c1-21-7-9-24(10-8-21)20-35-26-17-13-25(14-18-26)29(33)32-31-19-23-11-15-27(16-12-23)36-30(34)28-6-4-3-5-22(28)2/h3-19H,20H2,1-2H3,(H,32,33)/b31-19-
InChIKeyUWMXJJIEUGMKHC-DXJNIWACSA-N
XLogP5.87
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.87
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3499826
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
[4-[[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4605891
[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4609649
4-amino-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 7650399
4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 78518160
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6294132
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate?
The IUPAC name of [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate (CID 6116646) is [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate.
What is the SMILES notation for [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate?
The canonical SMILES for [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate is Cc1ccc(COc2ccc(C(=O)N/N=C\c3ccc(OC(=O)c4ccccc4C)cc3)cc2)cc1.
What is the InChIKey of [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate?
The InChIKey is UWMXJJIEUGMKHC-DXJNIWACSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-21-7-9-24(10-8-21)20-35-26-17-13-25(14-18-26)29(33)32-31-19-23-11-15-27(16-12-23)36-30(34)28-6-4-3-5-22(28)2/h3-19H,20H2,1-2H3,(H,32,33)/b31-19-.
What are the key properties of [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate?
[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate has a molecular weight of 478.55 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate is sourced from PubChem (CID 6116646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).