1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate

C23H23NO4 — CID 16510789

IUPAC1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1
InChIInChI=1S/C23H23NO4/c1-15(16-8-4-2-5-9-16)28-23(27)17-12-13-19-20(14-17)22(26)24(21(19)25)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3
InChIKeyPGFPLTADONUKLU-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.53
Rot. Bonds4

About 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate

1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate (PubChem CID 16510789) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
PubChem CID16510789
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1
InChIInChI=1S/C23H23NO4/c1-15(16-8-4-2-5-9-16)28-23(27)17-12-13-19-20(14-17)22(26)24(21(19)25)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3
InChIKeyPGFPLTADONUKLU-UHFFFAOYSA-N
XLogP4.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 55392006
[(2S)-1-amino-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 7738739
2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide
CID 26911738
1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate
CID 75417597
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 26005883
pyridin-2-ylmethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 43008844
[(2S)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 99845348
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 2639465
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 42899348
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 46623988
[2-(4-methylphenyl)-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 1216638
decyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 3112633

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate (CID 16510789) is 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate is CC(OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1.
What is the InChIKey of 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is PGFPLTADONUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15(16-8-4-2-5-9-16)28-23(27)17-12-13-19-20(14-17)22(26)24(21(19)25)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3.
What are the key properties of 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate?
1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 16510789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).