2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide

C21H24N2O2 — CID 95555970

IUPAC2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-15(2)22-19(24)14-21(13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)23(3)20(21)25/h4-12,15H,13-14H2,1-3H3,(H,22,24)/t21-/m0/s1
InChIKeyDMYVWRHPYXSBKR-NRFANRHFSA-N
MW336.44 g/mol
LogP3.06
Rot. Bonds5

About 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide (PubChem CID 95555970) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
PubChem CID95555970
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-15(2)22-19(24)14-21(13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)23(3)20(21)25/h4-12,15H,13-14H2,1-3H3,(H,22,24)/t21-/m0/s1
InChIKeyDMYVWRHPYXSBKR-NRFANRHFSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2-methoxyethyl)acetamide
CID 95551779
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-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 102422036
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide (CID 95555970) is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is DMYVWRHPYXSBKR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)22-19(24)14-21(13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)23(3)20(21)25/h4-12,15H,13-14H2,1-3H3,(H,22,24)/t21-/m0/s1.
What are the key properties of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide?
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 336.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95555970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).