[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate

C23H20N2O4 — CID 1008575

IUPAC[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(C)=O
InChIInChI=1S/C23H20N2O4/c1-16(26)29-21-13-8-17(14-22(21)28-2)15-24-25-23(27)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,27)
InChIKeyAKCPLWVWYKMKAD-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.05
Rot. Bonds6

About [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate

[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate (PubChem CID 1008575) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
PubChem CID1008575
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(C)=O
InChIInChI=1S/C23H20N2O4/c1-16(26)29-21-13-8-17(14-22(21)28-2)15-24-25-23(27)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,27)
InChIKeyAKCPLWVWYKMKAD-UHFFFAOYSA-N
XLogP4.05
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.05
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

N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
[2,6-dimethoxy-4-[(E)-[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 39818764
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6323018
[4-[[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 715847
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1008577
[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate
CID 932190
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4292329
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1009993
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068
[4-[[(4-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3278536

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate (CID 1008575) is [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate is COc1cc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is AKCPLWVWYKMKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-16(26)29-21-13-8-17(14-22(21)28-2)15-24-25-23(27)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,27).
What are the key properties of [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate?
[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 388.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 1008575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).