(3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate

C24H23NO4 — CID 67542380

IUPAC(3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate
SMILESCOc1cccc(OC(=N/c2ccccc2)/C(C)=C/Oc2ccccc2OC)c1
InChIInChI=1S/C24H23NO4/c1-18(17-28-23-15-8-7-14-22(23)27-3)24(25-19-10-5-4-6-11-19)29-21-13-9-12-20(16-21)26-2/h4-17H,1-3H3/b18-17+,25-24+
InChIKeyUJEUJELXRJUTMR-YRVRKSHPSA-N
MW389.45 g/mol
LogP5.80
Rot. Bonds7

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

(3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate (PubChem CID 67542380) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is (3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate.

Molecular Properties

Compound Name(3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate
PubChem CID67542380
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate
SMILESCOc1cccc(OC(=N/c2ccccc2)/C(C)=C/Oc2ccccc2OC)c1
InChIInChI=1S/C24H23NO4/c1-18(17-28-23-15-8-7-14-22(23)27-3)24(25-19-10-5-4-6-11-19)29-21-13-9-12-20(16-21)26-2/h4-17H,1-3H3/b18-17+,25-24+
InChIKeyUJEUJELXRJUTMR-YRVRKSHPSA-N
XLogP5.80
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.80
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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Related Compounds

(3-methylphenyl) 3-(2-methoxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enimidate
CID 59498355
(3-ethylphenyl) (E)-N-(3,4-dimethylphenyl)-3-(2-methoxyphenoxy)-2-methylprop-2-enimidate
CID 67545260
phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
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
(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67544611
(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498375
phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate
CID 67544941
(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498391
(3-methylphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidothioate
CID 67543764
phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate
CID 67544900
phenyl (E)-3-(3-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enimidothioate
CID 67544057

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate?
The IUPAC name of (3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate (CID 67542380) is (3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate.
What is the SMILES notation for (3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate?
The canonical SMILES for (3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate is COc1cccc(OC(=N/c2ccccc2)/C(C)=C/Oc2ccccc2OC)c1.
What is the InChIKey of (3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate?
The InChIKey is UJEUJELXRJUTMR-YRVRKSHPSA-N. The full InChI is InChI=1S/C24H23NO4/c1-18(17-28-23-15-8-7-14-22(23)27-3)24(25-19-10-5-4-6-11-19)29-21-13-9-12-20(16-21)26-2/h4-17H,1-3H3/b18-17+,25-24+.
What are the key properties of (3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate?
(3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate has a molecular weight of 389.45 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) (E)-3-(2-methoxyphenoxy)-2-methyl-N-phenylprop-2-enimidate is sourced from PubChem (CID 67542380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).