3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide

C22H26N2O4 — CID 95558736

IUPAC3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide
SMILESCN1C(=O)[C@@](CCC(=O)NC(CO)CO)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H26N2O4/c1-24-19-10-6-5-9-18(19)22(21(24)28,13-16-7-3-2-4-8-16)12-11-20(27)23-17(14-25)15-26/h2-10,17,25-26H,11-15H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyZPUCFYCKSUYLIJ-QFIPXVFZSA-N
MW382.46 g/mol
LogP1.39
Rot. Bonds8

About 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide

3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide (PubChem CID 95558736) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide
PubChem CID95558736
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide
SMILESCN1C(=O)[C@@](CCC(=O)NC(CO)CO)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H26N2O4/c1-24-19-10-6-5-9-18(19)22(21(24)28,13-16-7-3-2-4-8-16)12-11-20(27)23-17(14-25)15-26/h2-10,17,25-26H,11-15H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyZPUCFYCKSUYLIJ-QFIPXVFZSA-N
XLogP1.39
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
CID 95563592
3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide
CID 56862260
methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
CID 56871088
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
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-phenylacetamide
CID 56873238
3-(hydroxymethyl)-1-methyl-3-(3-oxobutyl)indol-2-one
CID 132567366
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(dicyclopropylmethyl)acetamide
CID 95556357
(3S)-3-benzyl-3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-1-methylindol-2-one
CID 95557356
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 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide?
The IUPAC name of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide (CID 95558736) is 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide.
What is the SMILES notation for 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide?
The canonical SMILES for 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide is CN1C(=O)[C@@](CCC(=O)NC(CO)CO)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide?
The InChIKey is ZPUCFYCKSUYLIJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-24-19-10-6-5-9-18(19)22(21(24)28,13-16-7-3-2-4-8-16)12-11-20(27)23-17(14-25)15-26/h2-10,17,25-26H,11-15H2,1H3,(H,23,27)/t22-/m0/s1.
What are the key properties of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide?
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide is sourced from PubChem (CID 95558736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).