1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid

C22H24N2O4 — CID 120691790

IUPAC1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)13-23-19(25)14-8-10-15(11-9-14)20(26)24-12-17(21(27)28)16-6-4-5-7-18(16)24/h4-11,17H,12-13H2,1-3H3,(H,23,25)(H,27,28)
InChIKeyOBLVWDJPRFNPCC-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.29
Rot. Bonds4

About 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid

1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691790) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691790
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)13-23-19(25)14-8-10-15(11-9-14)20(26)24-12-17(21(27)28)16-6-4-5-7-18(16)24/h4-11,17H,12-13H2,1-3H3,(H,23,25)(H,27,28)
InChIKeyOBLVWDJPRFNPCC-UHFFFAOYSA-N
XLogP3.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid (CID 120691790) is 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid is CC(C)(C)CNC(=O)c1ccc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1.
What is the InChIKey of 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is OBLVWDJPRFNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2,3)13-23-19(25)14-8-10-15(11-9-14)20(26)24-12-17(21(27)28)16-6-4-5-7-18(16)24/h4-11,17H,12-13H2,1-3H3,(H,23,25)(H,27,28).
What are the key properties of 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid?
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).