2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid

C22H26N2O3 — CID 23017239

IUPAC2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid
SMILESCC(C)CC(NC(=O)c1cccc2c1N(CC(=O)O)CC2)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-15(2)13-19(16-7-4-3-5-8-16)23-22(27)18-10-6-9-17-11-12-24(21(17)18)14-20(25)26/h3-10,15,19H,11-14H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyLKZXPELYNJOYFG-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.65
Rot. Bonds7

About 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid

2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid (PubChem CID 23017239) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid
PubChem CID23017239
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid
SMILESCC(C)CC(NC(=O)c1cccc2c1N(CC(=O)O)CC2)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-15(2)13-19(16-7-4-3-5-8-16)23-22(27)18-10-6-9-17-11-12-24(21(17)18)14-20(25)26/h3-10,15,19H,11-14H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyLKZXPELYNJOYFG-UHFFFAOYSA-N
XLogP3.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid?
The IUPAC name of 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid (CID 23017239) is 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid.
What is the SMILES notation for 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid?
The canonical SMILES for 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid is CC(C)CC(NC(=O)c1cccc2c1N(CC(=O)O)CC2)c1ccccc1.
What is the InChIKey of 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid?
The InChIKey is LKZXPELYNJOYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)13-19(16-7-4-3-5-8-16)23-22(27)18-10-6-9-17-11-12-24(21(17)18)14-20(25)26/h3-10,15,19H,11-14H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid?
2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid has a molecular weight of 366.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid is sourced from PubChem (CID 23017239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).