phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate

C23H19NO3 — CID 91481132

IUPACphenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate
SMILESCC(=O)c1ccc(/N=C(\C=COc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c1-18(25)19-12-14-20(15-13-19)24-23(27-22-10-6-3-7-11-22)16-17-26-21-8-4-2-5-9-21/h2-17H,1H3/b17-16?,24-23+
InChIKeyUQTRIKBNGPSWGB-NOKPKKIYSA-N
MW357.41 g/mol
LogP5.59
Rot. Bonds6

About phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate

phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate (PubChem CID 91481132) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate.

Molecular Properties

Compound Namephenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate
PubChem CID91481132
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Namephenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate
SMILESCC(=O)c1ccc(/N=C(\C=COc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c1-18(25)19-12-14-20(15-13-19)24-23(27-22-10-6-3-7-11-22)16-17-26-21-8-4-2-5-9-21/h2-17H,1H3/b17-16?,24-23+
InChIKeyUQTRIKBNGPSWGB-NOKPKKIYSA-N
XLogP5.59
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
CID 90699433
methyl 4-[3-(3,4-dimethylphenyl)imino-3-(3-methylphenoxy)prop-1-enoxy]benzoate
CID 90972531
phenyl (E)-3-methylsulfanyl-N-phenylprop-2-enimidate
CID 69126845
phenyl 3-methylsulfanyl-N-phenylprop-2-enimidate
CID 69126846
(2,5-dichlorophenyl) 3-phenoxy-N-(4-propan-2-ylphenyl)prop-2-enimidate
CID 91017634
methyl 3-phenoxyprop-2-enoate
CID 74041310
3-(4-phenyldiazenylphenoxy)prop-2-enoic acid
CID 91565799
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
methyl 4-[C-(2-phenylsulfanylethenyl)-N-(4-propan-2-ylphenyl)carbonimidoyl]oxybenzoate
CID 91332175
phenyl (E)-2-methyl-3-phenoxy-N-phenylprop-2-enimidate
CID 59498395
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
phenyl N-phenyl-3-pyrimidin-2-ylsulfanylprop-2-enimidate
CID 90720629

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate?
The IUPAC name of phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate (CID 91481132) is phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate.
What is the SMILES notation for phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate?
The canonical SMILES for phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate is CC(=O)c1ccc(/N=C(\C=COc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate?
The InChIKey is UQTRIKBNGPSWGB-NOKPKKIYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-18(25)19-12-14-20(15-13-19)24-23(27-22-10-6-3-7-11-22)16-17-26-21-8-4-2-5-9-21/h2-17H,1H3/b17-16?,24-23+.
What are the key properties of phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate?
phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate has a molecular weight of 357.41 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-acetylphenyl)-3-phenoxyprop-2-enimidate is sourced from PubChem (CID 91481132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).