phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate

C22H19NO2 — CID 59498395

IUPACphenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
SMILESCC(=C\Oc1ccccc1)/C(=N\c1ccccc1)Oc1ccccc1
InChIInChI=1S/C22H19NO2/c1-18(17-24-20-13-7-3-8-14-20)22(23-19-11-5-2-6-12-19)25-21-15-9-4-10-16-21/h2-17H,1H3/b18-17+,23-22+
InChIKeyRPZGXWUJEKNMQT-VGMYHVDBSA-N
MW329.40 g/mol
LogP5.78
Rot. Bonds5

About phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate

phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate (PubChem CID 59498395) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate.

Molecular Properties

Compound Namephenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
PubChem CID59498395
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Namephenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
SMILESCC(=C\Oc1ccccc1)/C(=N\c1ccccc1)Oc1ccccc1
InChIInChI=1S/C22H19NO2/c1-18(17-24-20-13-7-3-8-14-20)22(23-19-11-5-2-6-12-19)25-21-15-9-4-10-16-21/h2-17H,1H3/b18-17+,23-22+
InChIKeyRPZGXWUJEKNMQT-VGMYHVDBSA-N
XLogP5.78
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.78
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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Related Compounds

phenyl 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498296
phenyl (E)-3-(4-chlorophenoxy)-2-methyl-N-phenylprop-2-enimidate
CID 67544941
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
(3-fluorophenyl) (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498375
[3-(trifluoromethyl)phenyl] 2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 67545800
phenyl 2-methyl-N-(2-methylphenyl)-3-phenoxyprop-2-enimidate
CID 67544812
(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67543944
phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate
CID 67544900
phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate
CID 59498141
(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498391
(2-methoxyphenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67544611

Frequently Asked Questions

What is the IUPAC name of phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
The IUPAC name of phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate (CID 59498395) is phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate.
What is the SMILES notation for phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
The canonical SMILES for phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate is CC(=C\Oc1ccccc1)/C(=N\c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
The InChIKey is RPZGXWUJEKNMQT-VGMYHVDBSA-N. The full InChI is InChI=1S/C22H19NO2/c1-18(17-24-20-13-7-3-8-14-20)22(23-19-11-5-2-6-12-19)25-21-15-9-4-10-16-21/h2-17H,1H3/b18-17+,23-22+.
What are the key properties of phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate?
phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate has a molecular weight of 329.40 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate is sourced from PubChem (CID 59498395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).