(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one

C21H22N2O3 — CID 95445255

IUPAC(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one
SMILESCN1C(=O)[C@@](CC(=O)N2CC(O)C2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-22-18-10-6-5-9-17(18)21(20(22)26,11-15-7-3-2-4-8-15)12-19(25)23-13-16(24)14-23/h2-10,16,24H,11-14H2,1H3/t21-/m1/s1
InChIKeyUCFHUVPYWQSJDA-OAQYLSRUSA-N
MW350.42 g/mol
LogP1.74
Rot. Bonds4

About (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one

(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one (PubChem CID 95445255) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one.

Molecular Properties

Compound Name(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one
PubChem CID95445255
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one
SMILESCN1C(=O)[C@@](CC(=O)N2CC(O)C2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-22-18-10-6-5-9-17(18)21(20(22)26,11-15-7-3-2-4-8-15)12-19(25)23-13-16(24)14-23/h2-10,16,24H,11-14H2,1H3/t21-/m1/s1
InChIKeyUCFHUVPYWQSJDA-OAQYLSRUSA-N
XLogP1.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56866029
3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride
CID 154892331
(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one
CID 95502874
1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile
CID 95525386
3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56878785
(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one
CID 95402504
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide
CID 95556357
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
CID 95400748
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 95555829
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one?
The IUPAC name of (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one (CID 95445255) is (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one.
What is the SMILES notation for (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one?
The canonical SMILES for (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one is CN1C(=O)[C@@](CC(=O)N2CC(O)C2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one?
The InChIKey is UCFHUVPYWQSJDA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-22-18-10-6-5-9-17(18)21(20(22)26,11-15-7-3-2-4-8-15)12-19(25)23-13-16(24)14-23/h2-10,16,24H,11-14H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one?
(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one has a molecular weight of 350.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one is sourced from PubChem (CID 95445255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).