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

C23H21NO2 — CID 59498296

IUPACphenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
SMILESCC(=COc1ccc(C)cc1)/C(=N\c1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H21NO2/c1-18-13-15-21(16-14-18)25-17-19(2)23(24-20-9-5-3-6-10-20)26-22-11-7-4-8-12-22/h3-17H,1-2H3/b19-17?,24-23+
InChIKeyQUWPSUNMXQBTGI-VNHMWSBJSA-N
MW343.43 g/mol
LogP6.09
Rot. Bonds5

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

phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate (PubChem CID 59498296) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate.

Molecular Properties

Compound Namephenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
PubChem CID59498296
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Namephenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
SMILESCC(=COc1ccc(C)cc1)/C(=N\c1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H21NO2/c1-18-13-15-21(16-14-18)25-17-19(2)23(24-20-9-5-3-6-10-20)26-22-11-7-4-8-12-22/h3-17H,1-2H3/b19-17?,24-23+
InChIKeyQUWPSUNMXQBTGI-VNHMWSBJSA-N
XLogP6.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 56.09
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'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The IUPAC name of phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate (CID 59498296) is phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate.
What is the SMILES notation for phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The canonical SMILES for phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate is CC(=COc1ccc(C)cc1)/C(=N\c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The InChIKey is QUWPSUNMXQBTGI-VNHMWSBJSA-N. The full InChI is InChI=1S/C23H21NO2/c1-18-13-15-21(16-14-18)25-17-19(2)23(24-20-9-5-3-6-10-20)26-22-11-7-4-8-12-22/h3-17H,1-2H3/b19-17?,24-23+.
What are the key properties of phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate has a molecular weight of 343.43 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate is sourced from PubChem (CID 59498296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).