2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide

C23H27N3O3 — CID 56861665

IUPAC2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide
SMILESCN1C(=O)C(CCC(=O)NC(C)(C)C(N)=O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H27N3O3/c1-22(2,20(24)28)25-19(27)13-14-23(15-16-9-5-4-6-10-16)17-11-7-8-12-18(17)26(3)21(23)29/h4-12H,13-15H2,1-3H3,(H2,24,28)(H,25,27)
InChIKeyFQTYAZZGSNTHSK-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.30
Rot. Bonds7

About 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide

2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide (PubChem CID 56861665) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide
PubChem CID56861665
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide
SMILESCN1C(=O)C(CCC(=O)NC(C)(C)C(N)=O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H27N3O3/c1-22(2,20(24)28)25-19(27)13-14-23(15-16-9-5-4-6-10-16)17-11-7-8-12-18(17)26(3)21(23)29/h4-12H,13-15H2,1-3H3,(H2,24,28)(H,25,27)
InChIKeyFQTYAZZGSNTHSK-UHFFFAOYSA-N
XLogP2.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
CID 95543110
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide
CID 95502531
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
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-butylpropanamide
CID 56862260
3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(1-ethylcyclopropyl)propanamide
CID 56878244
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-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide?
The IUPAC name of 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide (CID 56861665) is 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide?
The canonical SMILES for 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide is CN1C(=O)C(CCC(=O)NC(C)(C)C(N)=O)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide?
The InChIKey is FQTYAZZGSNTHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-22(2,20(24)28)25-19(27)13-14-23(15-16-9-5-4-6-10-16)17-11-7-8-12-18(17)26(3)21(23)29/h4-12H,13-15H2,1-3H3,(H2,24,28)(H,25,27).
What are the key properties of 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide?
2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide has a molecular weight of 393.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]-2-methylpropanamide is sourced from PubChem (CID 56861665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).