(3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one

C22H25NO3 — CID 1075400

IUPAC(3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one
SMILESCC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1
InChIInChI=1S/C22H25NO3/c1-14(2)16-9-11-17(12-10-16)20(24)13-22(26)18-7-5-6-8-19(18)23(15(3)4)21(22)25/h5-12,14-15,26H,13H2,1-4H3/t22-/m0/s1
InChIKeyRUXCEHLWHWZSKZ-QFIPXVFZSA-N
MW351.45 g/mol
LogP4.03
Rot. Bonds5

About (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one

(3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one (PubChem CID 1075400) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one
PubChem CID1075400
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one
SMILESCC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1
InChIInChI=1S/C22H25NO3/c1-14(2)16-9-11-17(12-10-16)20(24)13-22(26)18-7-5-6-8-19(18)23(15(3)4)21(22)25/h5-12,14-15,26H,13H2,1-4H3/t22-/m0/s1
InChIKeyRUXCEHLWHWZSKZ-QFIPXVFZSA-N
XLogP4.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 1216198
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 41339042
(3S)-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-propan-2-ylindol-2-one
CID 1265256
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 957833
(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 7046085
3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one
CID 5182435
1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 17077941
(3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 7281024
(3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 7281029
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
(3S)-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 41145224
(3S)-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 1216244

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one (CID 1075400) is (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one is CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1.
What is the InChIKey of (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one?
The InChIKey is RUXCEHLWHWZSKZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25NO3/c1-14(2)16-9-11-17(12-10-16)20(24)13-22(26)18-7-5-6-8-19(18)23(15(3)4)21(22)25/h5-12,14-15,26H,13H2,1-4H3/t22-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one?
(3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one has a molecular weight of 351.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one is sourced from PubChem (CID 1075400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).