(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate

C25H25NO4 — CID 59498355

IUPAC(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
SMILESCOc1ccc(/N=C(\Oc2cccc(C)c2)C(C)=COc2ccccc2OC)cc1
InChIInChI=1S/C25H25NO4/c1-18-8-7-9-22(16-18)30-25(26-20-12-14-21(27-3)15-13-20)19(2)17-29-24-11-6-5-10-23(24)28-4/h5-17H,1-4H3/b19-17?,26-25-
InChIKeyKODQRQYVKIZWNN-DABJWRALSA-N
MW403.48 g/mol
LogP6.10
Rot. Bonds7

About (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate

(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate (PubChem CID 59498355) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate.

Molecular Properties

Compound Name(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
PubChem CID59498355
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
SMILESCOc1ccc(/N=C(\Oc2cccc(C)c2)C(C)=COc2ccccc2OC)cc1
InChIInChI=1S/C25H25NO4/c1-18-8-7-9-22(16-18)30-25(26-20-12-14-21(27-3)15-13-20)19(2)17-29-24-11-6-5-10-23(24)28-4/h5-17H,1-4H3/b19-17?,26-25-
InChIKeyKODQRQYVKIZWNN-DABJWRALSA-N
XLogP6.10
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate?
The IUPAC name of (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate (CID 59498355) is (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate.
What is the SMILES notation for (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate?
The canonical SMILES for (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate is COc1ccc(/N=C(\Oc2cccc(C)c2)C(C)=COc2ccccc2OC)cc1.
What is the InChIKey of (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate?
The InChIKey is KODQRQYVKIZWNN-DABJWRALSA-N. The full InChI is InChI=1S/C25H25NO4/c1-18-8-7-9-22(16-18)30-25(26-20-12-14-21(27-3)15-13-20)19(2)17-29-24-11-6-5-10-23(24)28-4/h5-17H,1-4H3/b19-17?,26-25-.
What are the key properties of (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate?
(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate has a molecular weight of 403.48 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate is sourced from PubChem (CID 59498355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).