3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide

C19H20N2O4 — CID 126323934

IUPAC3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1OCC
InChIInChI=1S/C19H20N2O4/c1-3-10-25-17-9-8-15(12-18(17)24-4-2)19(23)21-20-13-14-6-5-7-16(22)11-14/h3,5-9,11-13,22H,1,4,10H2,2H3,(H,21,23)/b20-13+
InChIKeyVTEMNLXJPZBBRV-DEDYPNTBSA-N
MW340.38 g/mol
LogP3.12
Rot. Bonds8

About 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide

3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide (PubChem CID 126323934) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
PubChem CID126323934
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1OCC
InChIInChI=1S/C19H20N2O4/c1-3-10-25-17-9-8-15(12-18(17)24-4-2)19(23)21-20-13-14-6-5-7-16(22)11-14/h3,5-9,11-13,22H,1,4,10H2,2H3,(H,21,23)/b20-13+
InChIKeyVTEMNLXJPZBBRV-DEDYPNTBSA-N
XLogP3.12
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide 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-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 126320551
3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126336930
N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 137143665
4-ethoxy-N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 17246424
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126319121
4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5126030
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
3-methoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126324319
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126319051
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126319007
N-[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126317283
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126317475

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide?
The IUPAC name of 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide (CID 126323934) is 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1OCC.
What is the InChIKey of 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide?
The InChIKey is VTEMNLXJPZBBRV-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-10-25-17-9-8-15(12-18(17)24-4-2)19(23)21-20-13-14-6-5-7-16(22)11-14/h3,5-9,11-13,22H,1,4,10H2,2H3,(H,21,23)/b20-13+.
What are the key properties of 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide?
3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide has a molecular weight of 340.38 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 126323934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).