[4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate

C20H17NO5 — CID 146531864

IUPAC[4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(/C(N)=C/c2ccc(OC(=O)C=C)cc2O)cc1
InChIInChI=1S/C20H17NO5/c1-3-19(23)25-15-8-5-13(6-9-15)17(21)11-14-7-10-16(12-18(14)22)26-20(24)4-2/h3-12,22H,1-2,21H2/b17-11-
InChIKeyCOWOEJFGXSKCHO-BOPFTXTBSA-N
MW351.36 g/mol
LogP3.03
Rot. Bonds6

About [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate

[4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate (PubChem CID 146531864) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate
PubChem CID146531864
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name[4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(/C(N)=C/c2ccc(OC(=O)C=C)cc2O)cc1
InChIInChI=1S/C20H17NO5/c1-3-19(23)25-15-8-5-13(6-9-15)17(21)11-14-7-10-16(12-18(14)22)26-20(24)4-2/h3-12,22H,1-2,21H2/b17-11-
InChIKeyCOWOEJFGXSKCHO-BOPFTXTBSA-N
XLogP3.03
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate 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

[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate
CID 136822877
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
(3-hydroxy-4-phenylphenyl) prop-2-enoate
CID 175065018
6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
CID 66781745
(4-ethenyl-3-hydroxyphenyl) acetate
CID 130034523
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
(3-ethyl-4-hydroxyphenyl) prop-2-enoate
CID 174614583
(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118282452
[4-(4-bromobenzoyl)phenyl] prop-2-enoate
CID 67394017
(4-propanoylphenyl) prop-2-enoate
CID 86070287
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 67472311

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate (CID 146531864) is [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(/C(N)=C/c2ccc(OC(=O)C=C)cc2O)cc1.
What is the InChIKey of [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate?
The InChIKey is COWOEJFGXSKCHO-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H17NO5/c1-3-19(23)25-15-8-5-13(6-9-15)17(21)11-14-7-10-16(12-18(14)22)26-20(24)4-2/h3-12,22H,1-2,21H2/b17-11-.
What are the key properties of [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate?
[4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate has a molecular weight of 351.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 146531864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).