[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate

C26H22N2O4 — CID 6115360

IUPAC[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
SMILESC=CCOc1ccc(C(=O)N/N=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H22N2O4/c1-2-18-31-23-15-11-22(12-16-23)26(30)28-27-19-21-8-13-24(14-9-21)32-25(29)17-10-20-6-4-3-5-7-20/h2-17,19H,1,18H2,(H,28,30)/b17-10+,27-19-
InChIKeyJYPJBQSVSUMOMC-XRSANKSGSA-N
MW426.47 g/mol
LogP4.63
Rot. Bonds9

About [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate

[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate (PubChem CID 6115360) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
PubChem CID6115360
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
SMILESC=CCOc1ccc(C(=O)N/N=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H22N2O4/c1-2-18-31-23-15-11-22(12-16-23)26(30)28-27-19-21-8-13-24(14-9-21)32-25(29)17-10-20-6-4-3-5-7-20/h2-17,19H,1,18H2,(H,28,30)/b17-10+,27-19-
InChIKeyJYPJBQSVSUMOMC-XRSANKSGSA-N
XLogP4.63
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6048328
[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3526997
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide
CID 75610197
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6087845
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6254782
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate (CID 6115360) is [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is C=CCOc1ccc(C(=O)N/N=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate?
The InChIKey is JYPJBQSVSUMOMC-XRSANKSGSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-2-18-31-23-15-11-22(12-16-23)26(30)28-27-19-21-8-13-24(14-9-21)32-25(29)17-10-20-6-4-3-5-7-20/h2-17,19H,1,18H2,(H,28,30)/b17-10+,27-19-.
What are the key properties of [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate?
[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 426.47 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 6115360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).