phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate

C23H21NO2 — CID 67544900

IUPACphenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate
SMILESCC(=COCc1ccccc1)/C(=N\c1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H21NO2/c1-19(17-25-18-20-11-5-2-6-12-20)23(24-21-13-7-3-8-14-21)26-22-15-9-4-10-16-22/h2-17H,18H2,1H3/b19-17?,24-23+
InChIKeyQSCLRJCWQXEKMN-VNHMWSBJSA-N
MW343.43 g/mol
LogP5.92
Rot. Bonds6

About phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate

phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate (PubChem CID 67544900) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate.

Molecular Properties

Compound Namephenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate
PubChem CID67544900
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Namephenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate
SMILESCC(=COCc1ccccc1)/C(=N\c1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H21NO2/c1-19(17-25-18-20-11-5-2-6-12-20)23(24-21-13-7-3-8-14-21)26-22-15-9-4-10-16-22/h2-17H,18H2,1H3/b19-17?,24-23+
InChIKeyQSCLRJCWQXEKMN-VNHMWSBJSA-N
XLogP5.92
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.92
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 (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
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-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498391
(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
2,2-difluoroethenoxymethylbenzene
CID 53483110
(3-fluorophenyl) (E)-2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 67543944
(4-methylphenyl) 2-methyl-N-phenyl-3-phenylsulfanylprop-2-enimidate
CID 67544805
phenyl 2-methyl-N-(2-methylphenyl)-3-phenoxyprop-2-enimidate
CID 67544812

Frequently Asked Questions

What is the IUPAC name of phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate?
The IUPAC name of phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate (CID 67544900) is phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate.
What is the SMILES notation for phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate?
The canonical SMILES for phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate is CC(=COCc1ccccc1)/C(=N\c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate?
The InChIKey is QSCLRJCWQXEKMN-VNHMWSBJSA-N. The full InChI is InChI=1S/C23H21NO2/c1-19(17-25-18-20-11-5-2-6-12-20)23(24-21-13-7-3-8-14-21)26-22-15-9-4-10-16-22/h2-17H,18H2,1H3/b19-17?,24-23+.
What are the key properties of phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate?
phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate has a molecular weight of 343.43 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate is sourced from PubChem (CID 67544900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).