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

C21H24N2O2 — CID 95554037

IUPAC3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-22(2)19(24)13-14-21(15-16-9-5-4-6-10-16)17-11-7-8-12-18(17)23(3)20(21)25/h4-12H,13-15H2,1-3H3/t21-/m0/s1
InChIKeyKRATWRNKQDUDPR-NRFANRHFSA-N
MW336.44 g/mol
LogP3.01
Rot. Bonds5

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

3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide (PubChem CID 95554037) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide
PubChem CID95554037
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-22(2)19(24)13-14-21(15-16-9-5-4-6-10-16)17-11-7-8-12-18(17)23(3)20(21)25/h4-12H,13-15H2,1-3H3/t21-/m0/s1
InChIKeyKRATWRNKQDUDPR-NRFANRHFSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]propanoylamino]acetic acid
CID 95563683
3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
CID 95563592
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 95558736
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 95563639
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 95402100
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-butylpropanamide
CID 56862260
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
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylacetamide
CID 95486259
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 56877849

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide (CID 95554037) is 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CC[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide?
The InChIKey is KRATWRNKQDUDPR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22(2)19(24)13-14-21(15-16-9-5-4-6-10-16)17-11-7-8-12-18(17)23(3)20(21)25/h4-12H,13-15H2,1-3H3/t21-/m0/s1.
What are the key properties of 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide?
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 95554037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).