2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide

C22H26N2O3 — CID 95545230

IUPAC2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide
SMILESCN(CCCO)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-23(13-8-14-25)20(26)16-22(15-17-9-4-3-5-10-17)18-11-6-7-12-19(18)24(2)21(22)27/h3-7,9-12,25H,8,13-16H2,1-2H3/t22-/m0/s1
InChIKeyFUIXNAALWTZKBM-QFIPXVFZSA-N
MW366.46 g/mol
LogP2.37
Rot. Bonds7

About 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide (PubChem CID 95545230) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide
PubChem CID95545230
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide
SMILESCN(CCCO)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-23(13-8-14-25)20(26)16-22(15-17-9-4-3-5-10-17)18-11-6-7-12-19(18)24(2)21(22)27/h3-7,9-12,25H,8,13-16H2,1-2H3/t22-/m0/s1
InChIKeyFUIXNAALWTZKBM-QFIPXVFZSA-N
XLogP2.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196
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
methyl 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]-methylamino]acetate
CID 95524846
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-(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-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide (CID 95545230) is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide is CN(CCCO)C(=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-(3-hydroxypropyl)-N-methylacetamide?
The InChIKey is FUIXNAALWTZKBM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-23(13-8-14-25)20(26)16-22(15-17-9-4-3-5-10-17)18-11-6-7-12-19(18)24(2)21(22)27/h3-7,9-12,25H,8,13-16H2,1-2H3/t22-/m0/s1.
What are the key properties of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide?
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxypropyl)-N-methylacetamide has a molecular weight of 366.46 g/mol, XLogP of 2.37, 7 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-(3-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 95545230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).