phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate

C24H23NO2 — CID 90699433

IUPACphenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
SMILESCC(C)c1ccc(/N=C(\C=COc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C24H23NO2/c1-19(2)20-13-15-21(16-14-20)25-24(27-23-11-7-4-8-12-23)17-18-26-22-9-5-3-6-10-22/h3-19H,1-2H3/b18-17?,25-24+
InChIKeyVWOAMWJBYCILAO-XBSNTOHVSA-N
MW357.45 g/mol
LogP6.51
Rot. Bonds6

About phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate

phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate (PubChem CID 90699433) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate.

Molecular Properties

Compound Namephenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
PubChem CID90699433
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Namephenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
SMILESCC(C)c1ccc(/N=C(\C=COc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C24H23NO2/c1-19(2)20-13-15-21(16-14-20)25-24(27-23-11-7-4-8-12-23)17-18-26-22-9-5-3-6-10-22/h3-19H,1-2H3/b18-17?,25-24+
InChIKeyVWOAMWJBYCILAO-XBSNTOHVSA-N
XLogP6.51
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 56.51
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

(2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
CID 91017634
phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate
CID 91481132
methyl 4-[C-(2-phenylsulfanylethenyl)-N-(4-propan-2-ylphenyl)carbonimidoyl]oxybenzoate
CID 91332175
phenyl (E)-3-methylsulfanyl-N-phenylprop-2-enimidate
CID 69126845
phenyl 3-methylsulfanyl-N-phenylprop-2-enimidate
CID 69126846
phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate
CID 90720629
phenyl 3-(3-methylphenyl)sulfanyl-N-phenylprop-2-enimidate
CID 91159883
phenyl N-(4-cyanophenyl)-3-phenylsulfanylprop-2-enimidate
CID 91231799
phenyl N-phenyl-3-pyridin-4-ylsulfanylprop-2-enimidate
CID 90910157
phenyl N-phenyl-3-pyridin-2-ylsulfanylprop-2-enimidate
CID 91613150
methyl 4-[3-(3,4-dimethylphenyl)imino-3-(3-methylphenoxy)prop-1-enoxy]benzoate
CID 90972531
(3-methylphenyl) 3-(3,4-difluorophenoxy)-N-(3,4-dimethylphenyl)prop-2-enimidate
CID 91181507

Frequently Asked Questions

What is the IUPAC name of phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate?
The IUPAC name of phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate (CID 90699433) is phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate.
What is the SMILES notation for phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate?
The canonical SMILES for phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate is CC(C)c1ccc(/N=C(\C=COc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate?
The InChIKey is VWOAMWJBYCILAO-XBSNTOHVSA-N. The full InChI is InChI=1S/C24H23NO2/c1-19(2)20-13-15-21(16-14-20)25-24(27-23-11-7-4-8-12-23)17-18-26-22-9-5-3-6-10-22/h3-19H,1-2H3/b18-17?,25-24+.
What are the key properties of phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate?
phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate has a molecular weight of 357.45 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate is sourced from PubChem (CID 90699433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).