2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

C23H28N2O3 — CID 95532207

IUPAC2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCN1C(=O)[C@@](CC(=O)NCC(C)(C)CO)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H28N2O3/c1-22(2,16-26)15-24-20(27)14-23(13-17-9-5-4-6-10-17)18-11-7-8-12-19(18)25(3)21(23)28/h4-12,26H,13-16H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyODDADJOEWKORFP-HSZRJFAPSA-N
MW380.49 g/mol
LogP2.67
Rot. Bonds7

About 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (PubChem CID 95532207) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
PubChem CID95532207
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCN1C(=O)[C@@](CC(=O)NCC(C)(C)CO)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H28N2O3/c1-22(2,16-26)15-24-20(27)14-23(13-17-9-5-4-6-10-17)18-11-7-8-12-19(18)25(3)21(23)28/h4-12,26H,13-16H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyODDADJOEWKORFP-HSZRJFAPSA-N
XLogP2.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
CID 95543110
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 56873886
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
CID 56871682
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 95555980
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95562977
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95553473
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 56862333
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 95402100

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide (CID 95532207) is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide is CN1C(=O)[C@@](CC(=O)NCC(C)(C)CO)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
The InChIKey is ODDADJOEWKORFP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-22(2,16-26)15-24-20(27)14-23(13-17-9-5-4-6-10-17)18-11-7-8-12-19(18)25(3)21(23)28/h4-12,26H,13-16H2,1-3H3,(H,24,27)/t23-/m1/s1.
What are the key properties of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide?
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 95532207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).