2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide

C21H24N2O2 — CID 95550196

IUPAC2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-4-22(2)19(24)15-21(14-16-10-6-5-7-11-16)17-12-8-9-13-18(17)23(3)20(21)25/h5-13H,4,14-15H2,1-3H3/t21-/m1/s1
InChIKeyBDVYPNQLYUPIQB-OAQYLSRUSA-N
MW336.44 g/mol
LogP3.01
Rot. Bonds5

About 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide

2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide (PubChem CID 95550196) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
PubChem CID95550196
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-4-22(2)19(24)15-21(14-16-10-6-5-7-11-16)17-12-8-9-13-18(17)23(3)20(21)25/h5-13H,4,14-15H2,1-3H3/t21-/m1/s1
InChIKeyBDVYPNQLYUPIQB-OAQYLSRUSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 95402100
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 95563639
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide
CID 95545230
methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate
CID 95524846
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide
CID 95486259
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 95554829
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 56877849
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide
CID 95554037
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[1-(methoxymethyl)cyclopropyl]-N-methylacetamide
CID 56879470
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
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-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide (CID 95550196) is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide?
The InChIKey is BDVYPNQLYUPIQB-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-22(2)19(24)15-21(14-16-10-6-5-7-11-16)17-12-8-9-13-18(17)23(3)20(21)25/h5-13H,4,14-15H2,1-3H3/t21-/m1/s1.
What are the key properties of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide?
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide has a molecular weight of 336.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 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-ethyl-N-methylacetamide is sourced from PubChem (CID 95550196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).