2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide

C24H28N2O3 — CID 95555829

IUPAC2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCN1C(=O)[C@](CC(=O)NCC2CCOCC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-26-21-10-6-5-9-20(21)24(23(26)28,15-18-7-3-2-4-8-18)16-22(27)25-17-19-11-13-29-14-12-19/h2-10,19H,11-17H2,1H3,(H,25,27)/t24-/m0/s1
InChIKeyGSTHGUASFBUWCM-DEOSSOPVSA-N
MW392.50 g/mol
LogP3.08
Rot. Bonds6

About 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 95555829) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID95555829
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCN1C(=O)[C@](CC(=O)NCC2CCOCC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-26-21-10-6-5-9-20(21)24(23(26)28,15-18-7-3-2-4-8-18)16-22(27)25-17-19-11-13-29-14-12-19/h2-10,19H,11-17H2,1H3,(H,25,27)/t24-/m0/s1
InChIKeyGSTHGUASFBUWCM-DEOSSOPVSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
CID 95400748
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-(2-methoxyethyl)acetamide
CID 95551779
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-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 56873886
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 95563231
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-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 156586625
2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
CID 95543110
3-benzyl-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56866029

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide (CID 95555829) is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide is CN1C(=O)[C@](CC(=O)NCC2CCOCC2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is GSTHGUASFBUWCM-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-26-21-10-6-5-9-20(21)24(23(26)28,15-18-7-3-2-4-8-18)16-22(27)25-17-19-11-13-29-14-12-19/h2-10,19H,11-17H2,1H3,(H,25,27)/t24-/m0/s1.
What are the key properties of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 95555829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).