1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid

C18H23NO3 — CID 120691709

IUPAC1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC1CCCC(CC(=O)N2CC(C(=O)O)c3ccccc32)C1
InChIInChI=1S/C18H23NO3/c1-12-5-4-6-13(9-12)10-17(20)19-11-15(18(21)22)14-7-2-3-8-16(14)19/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3,(H,21,22)
InChIKeyIXJOHTRGQVTGEV-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.42
Rot. Bonds3

About 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid

1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691709) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691709
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC1CCCC(CC(=O)N2CC(C(=O)O)c3ccccc32)C1
InChIInChI=1S/C18H23NO3/c1-12-5-4-6-13(9-12)10-17(20)19-11-15(18(21)22)14-7-2-3-8-16(14)19/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3,(H,21,22)
InChIKeyIXJOHTRGQVTGEV-UHFFFAOYSA-N
XLogP3.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 115448717
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889
1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564871
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)ethanone;hydrochloride
CID 120750129
1-(3-ethoxypropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564008
1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565487
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid (CID 120691709) is 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid is CC1CCCC(CC(=O)N2CC(C(=O)O)c3ccccc32)C1.
What is the InChIKey of 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is IXJOHTRGQVTGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-5-4-6-13(9-12)10-17(20)19-11-15(18(21)22)14-7-2-3-8-16(14)19/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3,(H,21,22).
What are the key properties of 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid?
1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).