2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid

C24H23NO3 — CID 70861221

IUPAC2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C(=O)N1c2ccccc2C(CC(=O)O)C1C)c1cccc2ccccc12
InChIInChI=1S/C24H23NO3/c1-15(18-12-7-9-17-8-3-4-10-19(17)18)24(28)25-16(2)21(14-23(26)27)20-11-5-6-13-22(20)25/h3-13,15-16,21H,14H2,1-2H3,(H,26,27)
InChIKeyVXHWXDLFFQGVRZ-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.94
Rot. Bonds4

About 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid

2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 70861221) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID70861221
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C(=O)N1c2ccccc2C(CC(=O)O)C1C)c1cccc2ccccc12
InChIInChI=1S/C24H23NO3/c1-15(18-12-7-9-17-8-3-4-10-19(17)18)24(28)25-16(2)21(14-23(26)27)20-11-5-6-13-22(20)25/h3-13,15-16,21H,14H2,1-2H3,(H,26,27)
InChIKeyVXHWXDLFFQGVRZ-UHFFFAOYSA-N
XLogP4.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
CID 65069244
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3-naphthalen-1-ylbutanoic acid
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N,N',2-trimethyl-N'-[(2S)-2-naphthalen-1-ylpropanoyl]propanehydrazide
CID 27877300
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
2-naphthalen-1-ylpropanehydrazide
CID 116843953
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid
CID 127050679
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid (CID 70861221) is 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid is CC(C(=O)N1c2ccccc2C(CC(=O)O)C1C)c1cccc2ccccc12.
What is the InChIKey of 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is VXHWXDLFFQGVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-15(18-12-7-9-17-8-3-4-10-19(17)18)24(28)25-16(2)21(14-23(26)27)20-11-5-6-13-22(20)25/h3-13,15-16,21H,14H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 373.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 70861221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).