[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate

C29H24N2O4 — CID 45054705

IUPAC[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESCc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H24N2O4/c1-21-7-9-23(10-8-21)20-34-26-17-13-24(14-18-26)28(32)31-30-19-22-11-15-27(16-12-22)35-29(33)25-5-3-2-4-6-25/h2-19H,20H2,1H3,(H,31,32)/b30-19+
InChIKeyQVNLXCDCSLLCSI-NDZAJKAJSA-N
MW464.52 g/mol
LogP5.56
Rot. Bonds8

About [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate

[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 45054705) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
PubChem CID45054705
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC Name[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESCc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H24N2O4/c1-21-7-9-23(10-8-21)20-34-26-17-13-24(14-18-26)28(32)31-30-19-22-11-15-27(16-12-22)35-29(33)25-5-3-2-4-6-25/h2-19H,20H2,1H3,(H,31,32)/b30-19+
InChIKeyQVNLXCDCSLLCSI-NDZAJKAJSA-N
XLogP5.56
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.56
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'}

Analyze [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate with MolForge

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Related Compounds

N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6116646
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6011084
[4-[[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3499826
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
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
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6047587
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate (CID 45054705) is [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate is Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is QVNLXCDCSLLCSI-NDZAJKAJSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-21-7-9-23(10-8-21)20-34-26-17-13-24(14-18-26)28(32)31-30-19-22-11-15-27(16-12-22)35-29(33)25-5-3-2-4-6-25/h2-19H,20H2,1H3,(H,31,32)/b30-19+.
What are the key properties of [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate?
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 464.52 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 45054705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).