2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide

C25H28N2O2 — CID 95556357

IUPAC2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide
SMILESCN1C(=O)[C@@](CC(=O)NC(C2CC2)C2CC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H28N2O2/c1-27-21-10-6-5-9-20(21)25(24(27)29,15-17-7-3-2-4-8-17)16-22(28)26-23(18-11-12-18)19-13-14-19/h2-10,18-19,23H,11-16H2,1H3,(H,26,28)/t25-/m1/s1
InChIKeyQYJVZSJIFHXCCD-RUZDIDTESA-N
MW388.51 g/mol
LogP3.84
Rot. Bonds7

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

2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide (PubChem CID 95556357) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide
PubChem CID95556357
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide
SMILESCN1C(=O)[C@@](CC(=O)NC(C2CC2)C2CC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H28N2O2/c1-27-21-10-6-5-9-20(21)25(24(27)29,15-17-7-3-2-4-8-17)16-22(28)26-23(18-11-12-18)19-13-14-19/h2-10,18-19,23H,11-16H2,1H3,(H,26,28)/t25-/m1/s1
InChIKeyQYJVZSJIFHXCCD-RUZDIDTESA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
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-(2-methoxyethyl)acetamide
CID 95551779
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95562977
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 56873886
2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
CID 95543110
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 95445255
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-(3-methoxypropyl)acetamide
CID 56871682

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide (CID 95556357) is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide is CN1C(=O)[C@@](CC(=O)NC(C2CC2)C2CC2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide?
The InChIKey is QYJVZSJIFHXCCD-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N2O2/c1-27-21-10-6-5-9-20(21)25(24(27)29,15-17-7-3-2-4-8-17)16-22(28)26-23(18-11-12-18)19-13-14-19/h2-10,18-19,23H,11-16H2,1H3,(H,26,28)/t25-/m1/s1.
What are the key properties of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide?
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 95556357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).