3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one

C24H23NO3 — CID 45259080

IUPAC3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
SMILESCC(C)CN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C24H23NO3/c1-16(2)15-25-21-10-6-5-9-20(21)24(28,23(25)27)14-22(26)19-12-11-17-7-3-4-8-18(17)13-19/h3-13,16,28H,14-15H2,1-2H3
InChIKeyYYIWYOHKDFGAQH-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.30
Rot. Bonds5

About 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one

3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one (PubChem CID 45259080) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
PubChem CID45259080
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
SMILESCC(C)CN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C24H23NO3/c1-16(2)15-25-21-10-6-5-9-20(21)24(28,23(25)27)14-22(26)19-12-11-17-7-3-4-8-18(17)13-19/h3-13,16,28H,14-15H2,1-2H3
InChIKeyYYIWYOHKDFGAQH-UHFFFAOYSA-N
XLogP4.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255704
(3R)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255705
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 27522911
3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 5221445
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 5127971
3-hydroxy-1-(2-methylpropyl)-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]indol-2-one
CID 172646021
(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 95244688
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one
CID 95244730
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one
CID 17078033
(3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
CID 40823101
5-bromo-1-butyl-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 17077544
3-hydroxy-1-(naphthalen-2-ylmethyl)-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 17078032

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one (CID 45259080) is 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one is CC(C)CN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The InChIKey is YYIWYOHKDFGAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-16(2)15-25-21-10-6-5-9-20(21)24(28,23(25)27)14-22(26)19-12-11-17-7-3-4-8-18(17)13-19/h3-13,16,28H,14-15H2,1-2H3.
What are the key properties of 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one has a molecular weight of 373.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one is sourced from PubChem (CID 45259080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).