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

C24H28N2O3 — CID 95486259

IUPAC2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide
SMILESCN(CC1(CO)CC1)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-25(16-23(17-27)12-13-23)21(28)15-24(14-18-8-4-3-5-9-18)19-10-6-7-11-20(19)26(2)22(24)29/h3-11,27H,12-17H2,1-2H3/t24-/m0/s1
InChIKeyXLUGYQJIBDYPIU-DEOSSOPVSA-N
MW392.50 g/mol
LogP2.76
Rot. Bonds7

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

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide (PubChem CID 95486259) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide
PubChem CID95486259
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide
SMILESCN(CC1(CO)CC1)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-25(16-23(17-27)12-13-23)21(28)15-24(14-18-8-4-3-5-9-18)19-10-6-7-11-20(19)26(2)22(24)29/h3-11,27H,12-17H2,1-2H3/t24-/m0/s1
InChIKeyXLUGYQJIBDYPIU-DEOSSOPVSA-N
XLogP2.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.76
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-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196
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-methyl-N-[2-(methylamino)ethyl]acetamide
CID 95563639
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-[(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-[1-(methoxymethyl)cyclopropyl]-N-methylacetamide
CID 56879470
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 56873886
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
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-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide?
The IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide (CID 95486259) is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide is CN(CC1(CO)CC1)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-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide?
The InChIKey is XLUGYQJIBDYPIU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-25(16-23(17-27)12-13-23)21(28)15-24(14-18-8-4-3-5-9-18)19-10-6-7-11-20(19)26(2)22(24)29/h3-11,27H,12-17H2,1-2H3/t24-/m0/s1.
What are the key properties of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide?
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide has a molecular weight of 392.50 g/mol, XLogP of 2.76, 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-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide is sourced from PubChem (CID 95486259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).