3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione

C20H27NO3 — CID 151012692

IUPAC3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione
SMILESCC(C)CC1C(=O)C=CC2=C1N(CC1CCC(=O)CC1)C(=O)C2C
InChIInChI=1S/C20H27NO3/c1-12(2)10-17-18(23)9-8-16-13(3)20(24)21(19(16)17)11-14-4-6-15(22)7-5-14/h8-9,12-14,17H,4-7,10-11H2,1-3H3
InChIKeyLWKWDSUVYFUTBU-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.28
Rot. Bonds4

About 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione

3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione (PubChem CID 151012692) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione.

Molecular Properties

Compound Name3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione
PubChem CID151012692
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione
SMILESCC(C)CC1C(=O)C=CC2=C1N(CC1CCC(=O)CC1)C(=O)C2C
InChIInChI=1S/C20H27NO3/c1-12(2)10-17-18(23)9-8-16-13(3)20(24)21(19(16)17)11-14-4-6-15(22)7-5-14/h8-9,12-14,17H,4-7,10-11H2,1-3H3
InChIKeyLWKWDSUVYFUTBU-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione with MolForge

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Related Compounds

7-(Difluoromethyl)-3-methyl-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione
CID 149823114
1-[(3,3-Difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione
CID 150079195
3-Methyl-1-[(4-oxocyclohexyl)methyl]-7-(2,2,2-trifluoroethyl)-3,7-dihydroindole-2,6-dione
CID 152432474
6-[(4-Fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one
CID 170603599
1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione
CID 19986014
1-Cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one
CID 58170164
CID 58710106
CID 58710106
3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one
CID 58710135
3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
CID 58710147
3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one;ethane
CID 91052137
3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane
CID 91454508
7-(Cyclopropylmethyl)-3-methyl-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione
CID 149668826

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione?
The IUPAC name of 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione (CID 151012692) is 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione.
What is the SMILES notation for 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione?
The canonical SMILES for 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione is CC(C)CC1C(=O)C=CC2=C1N(CC1CCC(=O)CC1)C(=O)C2C.
What is the InChIKey of 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione?
The InChIKey is LWKWDSUVYFUTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-12(2)10-17-18(23)9-8-16-13(3)20(24)21(19(16)17)11-14-4-6-15(22)7-5-14/h8-9,12-14,17H,4-7,10-11H2,1-3H3.
What are the key properties of 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione?
3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione has a molecular weight of 329.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione is sourced from PubChem (CID 151012692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).