3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide

C21H24N2O3 — CID 95563592

IUPAC3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
SMILESCN1C(=O)[C@](CCC(=O)NCCO)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N2O3/c1-23-18-10-6-5-9-17(18)21(20(23)26,12-11-19(25)22-13-14-24)15-16-7-3-2-4-8-16/h2-10,24H,11-15H2,1H3,(H,22,25)/t21-/m1/s1
InChIKeyYRZAKQMMXXEYDY-OAQYLSRUSA-N
MW352.43 g/mol
LogP2.03
Rot. Bonds7

About 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide

3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide (PubChem CID 95563592) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
PubChem CID95563592
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
SMILESCN1C(=O)[C@](CCC(=O)NCCO)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N2O3/c1-23-18-10-6-5-9-17(18)21(20(23)26,12-11-19(25)22-13-14-24)15-16-7-3-2-4-8-16/h2-10,24H,11-15H2,1H3,(H,22,25)/t21-/m1/s1
InChIKeyYRZAKQMMXXEYDY-OAQYLSRUSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide
CID 56862260
2-[3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]propanoylamino]acetic acid
CID 95563683
methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
CID 56871088
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 95558736
3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(1-ethylcyclopropyl)propanamide
CID 56878244
2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide
CID 56861665
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide
CID 95554037
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide
CID 95502531
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-phenylacetamide
CID 56873238
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

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide (CID 95563592) is 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide is CN1C(=O)[C@](CCC(=O)NCCO)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is YRZAKQMMXXEYDY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-23-18-10-6-5-9-17(18)21(20(23)26,12-11-19(25)22-13-14-24)15-16-7-3-2-4-8-16/h2-10,24H,11-15H2,1H3,(H,22,25)/t21-/m1/s1.
What are the key properties of 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide?
3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 95563592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).