1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one

C23H21NO2 — CID 138963365

IUPAC1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
SMILESCCN1C(=O)C(C)(CC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-3-24-20-14-7-6-13-19(20)23(2,22(24)26)15-21(25)18-12-8-10-16-9-4-5-11-17(16)18/h4-14H,3,15H2,1-2H3
InChIKeyPLCVWYNJCRAPIE-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.74
Rot. Bonds4

About 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one

1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one (PubChem CID 138963365) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
PubChem CID138963365
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
SMILESCCN1C(=O)C(C)(CC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-3-24-20-14-7-6-13-19(20)23(2,22(24)26)15-21(25)18-12-8-10-16-9-4-5-11-17(16)18/h4-14H,3,15H2,1-2H3
InChIKeyPLCVWYNJCRAPIE-UHFFFAOYSA-N
XLogP4.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The IUPAC name of 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one (CID 138963365) is 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one.
What is the SMILES notation for 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The canonical SMILES for 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one is CCN1C(=O)C(C)(CC(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The InChIKey is PLCVWYNJCRAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-3-24-20-14-7-6-13-19(20)23(2,22(24)26)15-21(25)18-12-8-10-16-9-4-5-11-17(16)18/h4-14H,3,15H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one has a molecular weight of 343.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one is sourced from PubChem (CID 138963365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).