(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate

C25H25NO2 — CID 59498391

IUPAC(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
SMILESCCc1cccc(O/C(=N/c2ccccc2)C(C)=COc2ccc(C)cc2)c1
InChIInChI=1S/C25H25NO2/c1-4-21-9-8-12-24(17-21)28-25(26-22-10-6-5-7-11-22)20(3)18-27-23-15-13-19(2)14-16-23/h5-18H,4H2,1-3H3/b20-18?,26-25+
InChIKeyHKIUGJNHLPZBGO-PXYNXWIASA-N
MW371.48 g/mol
LogP6.65
Rot. Bonds6

About (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate

(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate (PubChem CID 59498391) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate.

Molecular Properties

Compound Name(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
PubChem CID59498391
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
SMILESCCc1cccc(O/C(=N/c2ccccc2)C(C)=COc2ccc(C)cc2)c1
InChIInChI=1S/C25H25NO2/c1-4-21-9-8-12-24(17-21)28-25(26-22-10-6-5-7-11-22)20(3)18-27-23-15-13-19(2)14-16-23/h5-18H,4H2,1-3H3/b20-18?,26-25+
InChIKeyHKIUGJNHLPZBGO-PXYNXWIASA-N
XLogP6.65
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate 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

phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498296
(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67543944
phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
(3-methylphenyl) (2E)-2-[(4-methylphenoxy)methylidene]-N-phenylbutanimidate
CID 67545817
(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498375
(3-ethylphenyl) (E)-N-(3,4-dimethylphenyl)-3-(2-methoxyphenoxy)-2-methylprop-2-enimidate
CID 67545260
(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67544611
phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate
CID 67544941
[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 67545800
phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
CID 67544196
phenyl (E)-3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 67544048
phenyl 3-(4-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 59498400

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The IUPAC name of (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate (CID 59498391) is (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate.
What is the SMILES notation for (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The canonical SMILES for (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate is CCc1cccc(O/C(=N/c2ccccc2)C(C)=COc2ccc(C)cc2)c1.
What is the InChIKey of (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The InChIKey is HKIUGJNHLPZBGO-PXYNXWIASA-N. The full InChI is InChI=1S/C25H25NO2/c1-4-21-9-8-12-24(17-21)28-25(26-22-10-6-5-7-11-22)20(3)18-27-23-15-13-19(2)14-16-23/h5-18H,4H2,1-3H3/b20-18?,26-25+.
What are the key properties of (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate has a molecular weight of 371.48 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate is sourced from PubChem (CID 59498391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).