prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate

C24H24N2O6 — CID 136778163

IUPACprop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate
SMILESC=CCOC(=O)c1ccc(O)c(/C=N/CC/N=C/c2cc(C(=O)OCC=C)ccc2O)c1
InChIInChI=1S/C24H24N2O6/c1-3-11-31-23(29)17-5-7-21(27)19(13-17)15-25-9-10-26-16-20-14-18(6-8-22(20)28)24(30)32-12-4-2/h3-8,13-16,27-28H,1-2,9-12H2/b25-15+,26-16+
InChIKeyQRVZDNPJSPJVNK-RYQLWAFASA-N
MW436.46 g/mol
LogP3.32
Rot. Bonds11

About prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate

prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate (PubChem CID 136778163) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate
PubChem CID136778163
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Nameprop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate
SMILESC=CCOC(=O)c1ccc(O)c(/C=N/CC/N=C/c2cc(C(=O)OCC=C)ccc2O)c1
InChIInChI=1S/C24H24N2O6/c1-3-11-31-23(29)17-5-7-21(27)19(13-17)15-25-9-10-26-16-20-14-18(6-8-22(20)28)24(30)32-12-4-2/h3-8,13-16,27-28H,1-2,9-12H2/b25-15+,26-16+
InChIKeyQRVZDNPJSPJVNK-RYQLWAFASA-N
XLogP3.32
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 3-[4-[(5-butoxycarbonyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]-4-hydroxybenzoate
CID 136778125
methyl 4-hydroxy-3-(2-hydroxyethyliminomethyl)benzoate
CID 172566365
hexyl 3-[4-[(5-hexoxycarbonyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]-4-hydroxybenzoate
CID 136777660
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
4-ethenyl-2-[2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 156779532
3-[2-[(5-formyloxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-hydroxybenzoic acid;zinc
CID 140655476
prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate
CID 90322329
ethyl 4-[[4-hydroxy-3-(octyliminomethyl)phenyl]diazenyl]benzoate
CID 136745238
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate
CID 136719139
prop-2-enyl 3-phenylbenzoate
CID 22594829
prop-2-enyl 3-aminobenzoate;hydrochloride
CID 18930598

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate?
The IUPAC name of prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate (CID 136778163) is prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate.
What is the SMILES notation for prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate?
The canonical SMILES for prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate is C=CCOC(=O)c1ccc(O)c(/C=N/CC/N=C/c2cc(C(=O)OCC=C)ccc2O)c1.
What is the InChIKey of prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate?
The InChIKey is QRVZDNPJSPJVNK-RYQLWAFASA-N. The full InChI is InChI=1S/C24H24N2O6/c1-3-11-31-23(29)17-5-7-21(27)19(13-17)15-25-9-10-26-16-20-14-18(6-8-22(20)28)24(30)32-12-4-2/h3-8,13-16,27-28H,1-2,9-12H2/b25-15+,26-16+.
What are the key properties of prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate?
prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate has a molecular weight of 436.46 g/mol, XLogP of 3.32, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate is sourced from PubChem (CID 136778163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).