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

C22H27N3O2 — CID 95563639

IUPAC2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-23-13-14-24(2)20(26)16-22(15-17-9-5-4-6-10-17)18-11-7-8-12-19(18)25(3)21(22)27/h4-12,23H,13-16H2,1-3H3/t22-/m1/s1
InChIKeySHOJXTXBMLTQEL-JOCHJYFZSA-N
MW365.48 g/mol
LogP2.21
Rot. Bonds7

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

2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide (PubChem CID 95563639) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
PubChem CID95563639
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-23-13-14-24(2)20(26)16-22(15-17-9-5-4-6-10-17)18-11-7-8-12-19(18)25(3)21(22)27/h4-12,23H,13-16H2,1-3H3/t22-/m1/s1
InChIKeySHOJXTXBMLTQEL-JOCHJYFZSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 95402100
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide
CID 95545230
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196
methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate
CID 95524846
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 56877849
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
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-[(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-[1-(methoxymethyl)cyclopropyl]-N-methylacetamide
CID 56879470
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide (CID 95563639) is 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide is CNCCN(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-methyl-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is SHOJXTXBMLTQEL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-13-14-24(2)20(26)16-22(15-17-9-5-4-6-10-17)18-11-7-8-12-19(18)25(3)21(22)27/h4-12,23H,13-16H2,1-3H3/t22-/m1/s1.
What are the key properties of 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide?
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 95563639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).