(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate

C24H23NO3 — CID 67544611

IUPAC(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
SMILESCOc1ccccc1OC(=N/c1ccccc1)/C(C)=C/Oc1ccc(C)cc1
InChIInChI=1S/C24H23NO3/c1-18-13-15-21(16-14-18)27-17-19(2)24(25-20-9-5-4-6-10-20)28-23-12-8-7-11-22(23)26-3/h4-17H,1-3H3/b19-17+,25-24+
InChIKeyKROYTIAMUWCYAW-AIHZIKAQSA-N
MW373.45 g/mol
LogP6.10
Rot. Bonds6

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

(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate (PubChem CID 67544611) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate.

Molecular Properties

Compound Name(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
PubChem CID67544611
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
SMILESCOc1ccccc1OC(=N/c1ccccc1)/C(C)=C/Oc1ccc(C)cc1
InChIInChI=1S/C24H23NO3/c1-18-13-15-21(16-14-18)27-17-19(2)24(25-20-9-5-4-6-10-20)28-23-12-8-7-11-22(23)26-3/h4-17H,1-3H3/b19-17+,25-24+
InChIKeyKROYTIAMUWCYAW-AIHZIKAQSA-N
XLogP6.10
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The IUPAC name of (2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate (CID 67544611) is (2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate.
What is the SMILES notation for (2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The canonical SMILES for (2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate is COc1ccccc1OC(=N/c1ccccc1)/C(C)=C/Oc1ccc(C)cc1.
What is the InChIKey of (2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
The InChIKey is KROYTIAMUWCYAW-AIHZIKAQSA-N. The full InChI is InChI=1S/C24H23NO3/c1-18-13-15-21(16-14-18)27-17-19(2)24(25-20-9-5-4-6-10-20)28-23-12-8-7-11-22(23)26-3/h4-17H,1-3H3/b19-17+,25-24+.
What are the key properties of (2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate?
(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate has a molecular weight of 373.45 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate is sourced from PubChem (CID 67544611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).