[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

C25H22N2O5 — CID 6254782

IUPAC[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H22N2O5/c1-30-22-14-10-18(16-23(22)31-2)11-15-24(28)32-21-12-8-19(9-13-21)17-26-27-25(29)20-6-4-3-5-7-20/h3-17H,1-2H3,(H,27,29)/b15-11+,26-17-
InChIKeyMCONAJWAQHMYIA-QIQMYUKISA-N
MW430.46 g/mol
LogP4.09
Rot. Bonds8

About [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 6254782) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
PubChem CID6254782
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H22N2O5/c1-30-22-14-10-18(16-23(22)31-2)11-15-24(28)32-21-12-8-19(9-13-21)17-26-27-25(29)20-6-4-3-5-7-20/h3-17H,1-2H3,(H,27,29)/b15-11+,26-17-
InChIKeyMCONAJWAQHMYIA-QIQMYUKISA-N
XLogP4.09
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 4293152
[4-[[(4-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3278536
[4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 5015541
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6130211
(4-benzamidophenyl) (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate
CID 34733409
[2-methoxy-4-[[[3-[(3-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126231172
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
[2-methoxy-4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 3346721
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4292329
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
[2-methoxy-4-[[[3-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126226023

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate (CID 6254782) is [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1OC.
What is the InChIKey of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is MCONAJWAQHMYIA-QIQMYUKISA-N. The full InChI is InChI=1S/C25H22N2O5/c1-30-22-14-10-18(16-23(22)31-2)11-15-24(28)32-21-12-8-19(9-13-21)17-26-27-25(29)20-6-4-3-5-7-20/h3-17H,1-2H3,(H,27,29)/b15-11+,26-17-.
What are the key properties of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 430.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 6254782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).