methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate

C25H24N2O5 — CID 55515343

IUPACmethyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C25H24N2O5/c1-32-25(31)17-8-10-21-15(13-17)11-12-26(21)22(28)16-7-9-19-20(14-16)24(30)27(23(19)29)18-5-3-2-4-6-18/h7-10,13-14,18H,2-6,11-12H2,1H3
InChIKeyUYEMEEZINNHJTL-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.60
Rot. Bonds3

About methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate

methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate (PubChem CID 55515343) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate
PubChem CID55515343
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Namemethyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C25H24N2O5/c1-32-25(31)17-8-10-21-15(13-17)11-12-26(21)22(28)16-7-9-19-20(14-16)24(30)27(23(19)29)18-5-3-2-4-6-18/h7-10,13-14,18H,2-6,11-12H2,1H3
InChIKeyUYEMEEZINNHJTL-UHFFFAOYSA-N
XLogP3.60
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate with MolForge

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Related Compounds

methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55515344
methyl 4-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)piperazine-1-carboxylate
CID 108568364
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 3-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzoate
CID 108874216
[(2S)-1-amino-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 7738739
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 42985777
5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride
CID 119373915
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
[2-(4-methylphenyl)-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 1216638
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 16510789

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate (CID 55515343) is methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate?
The InChIKey is UYEMEEZINNHJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-32-25(31)17-8-10-21-15(13-17)11-12-26(21)22(28)16-7-9-19-20(14-16)24(30)27(23(19)29)18-5-3-2-4-6-18/h7-10,13-14,18H,2-6,11-12H2,1H3.
What are the key properties of methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate?
methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55515343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).