N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide

C18H18N2O3 — CID 4928960

IUPACN-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=C(C)c1ccc(O)cc1
InChIInChI=1S/C18H18N2O3/c1-3-12-23-17-7-5-4-6-16(17)18(22)20-19-13(2)14-8-10-15(21)11-9-14/h3-11,21H,1,12H2,2H3,(H,20,22)
InChIKeyVYCKBXYZTJXURK-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.11
Rot. Bonds6

About N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide

N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide (PubChem CID 4928960) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
PubChem CID4928960
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=C(C)c1ccc(O)cc1
InChIInChI=1S/C18H18N2O3/c1-3-12-23-17-7-5-4-6-16(17)18(22)20-19-13(2)14-8-10-15(21)11-9-14/h3-11,21H,1,12H2,2H3,(H,20,22)
InChIKeyVYCKBXYZTJXURK-UHFFFAOYSA-N
XLogP3.11
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(4-hydroxyphenyl)ethylideneamino]-2-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

N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
CID 4928957
N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
CID 4928953
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771
N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928992
N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide
CID 54785708
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
CID 4931511
1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione
CID 10806921
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide (CID 4928960) is N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NN=C(C)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide?
The InChIKey is VYCKBXYZTJXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-12-23-17-7-5-4-6-16(17)18(22)20-19-13(2)14-8-10-15(21)11-9-14/h3-11,21H,1,12H2,2H3,(H,20,22).
What are the key properties of N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide?
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide has a molecular weight of 310.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 4928960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).