2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide

C22H25N3O3 — CID 95543110

IUPAC2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
SMILESCN1C(=O)[C@](CC(=O)NC(C)(C)C(N)=O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-21(2,19(23)27)24-18(26)14-22(13-15-9-5-4-6-10-15)16-11-7-8-12-17(16)25(3)20(22)28/h4-12H,13-14H2,1-3H3,(H2,23,27)(H,24,26)/t22-/m0/s1
InChIKeyDIBOKXHMCBCUKT-QFIPXVFZSA-N
MW379.46 g/mol
LogP1.91
Rot. Bonds6

About 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide

2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide (PubChem CID 95543110) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
PubChem CID95543110
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
SMILESCN1C(=O)[C@](CC(=O)NC(C)(C)C(N)=O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-21(2,19(23)27)24-18(26)14-22(13-15-9-5-4-6-10-15)16-11-7-8-12-17(16)25(3)20(22)28/h4-12H,13-14H2,1-3H3,(H2,23,27)(H,24,26)/t22-/m0/s1
InChIKeyDIBOKXHMCBCUKT-QFIPXVFZSA-N
XLogP1.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide
CID 56861665
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
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-propan-2-ylacetamide
CID 95555970
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
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-(2H-tetrazol-5-ylmethyl)acetamide
CID 95553473
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide
CID 95556357
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-(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-(1,2-oxazol-3-ylmethyl)acetamide
CID 56862333

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide (CID 95543110) is 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide is CN1C(=O)[C@](CC(=O)NC(C)(C)C(N)=O)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide?
The InChIKey is DIBOKXHMCBCUKT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-21(2,19(23)27)24-18(26)14-22(13-15-9-5-4-6-10-15)16-11-7-8-12-17(16)25(3)20(22)28/h4-12H,13-14H2,1-3H3,(H2,23,27)(H,24,26)/t22-/m0/s1.
What are the key properties of 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide?
2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide is sourced from PubChem (CID 95543110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).