(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one

C23H21NO3 — CID 7281011

IUPAC(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one
SMILESCC(C)N1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO3/c1-15(2)24-20-13-6-5-12-19(20)23(27,22(24)26)14-21(25)18-11-7-9-16-8-3-4-10-17(16)18/h3-13,15,27H,14H2,1-2H3/t23-/m1/s1
InChIKeyZPHVJNSEHFZJEP-HSZRJFAPSA-N
MW359.43 g/mol
LogP4.06
Rot. Bonds4

About (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one

(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one (PubChem CID 7281011) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one
PubChem CID7281011
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one
SMILESCC(C)N1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO3/c1-15(2)24-20-13-6-5-12-19(20)23(27,22(24)26)14-21(25)18-11-7-9-16-8-3-4-10-17(16)18/h3-13,15,27H,14H2,1-2H3/t23-/m1/s1
InChIKeyZPHVJNSEHFZJEP-HSZRJFAPSA-N
XLogP4.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 3242879
5-bromo-1-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 4154150
3-hydroxy-5-methyl-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
CID 5734070
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3147814
3-Hydroxy-3-phenacyloxindole
CID 99051
1-Benzyl-3-hydroxy-3-phenyl-1,3-dihydro-indol-2-one
CID 11141594
3-Hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 651977
ethyl {3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate
CID 2898051
methyl [3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-2,3-dihydro-1H-indol-1-yl]acetate
CID 2924675
1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 2924811
3-[2-(4-Aminophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2925029
1-allyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2925037

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one (CID 7281011) is (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one is CC(C)N1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one?
The InChIKey is ZPHVJNSEHFZJEP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21NO3/c1-15(2)24-20-13-6-5-12-19(20)23(27,22(24)26)14-21(25)18-11-7-9-16-8-3-4-10-17(16)18/h3-13,15,27H,14H2,1-2H3/t23-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one?
(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one has a molecular weight of 359.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one is sourced from PubChem (CID 7281011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).