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

C22H24N2O4 — CID 56871088

IUPACmethyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCC1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-24-18-11-7-6-10-17(18)22(21(24)27,14-16-8-4-3-5-9-16)13-12-19(25)23-15-20(26)28-2/h3-11H,12-15H2,1-2H3,(H,23,25)
InChIKeySKOUHSRNPBGZTP-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.21
Rot. Bonds7

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

methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate (PubChem CID 56871088) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
PubChem CID56871088
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCC1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-24-18-11-7-6-10-17(18)22(21(24)27,14-16-8-4-3-5-9-16)13-12-19(25)23-15-20(26)28-2/h3-11H,12-15H2,1-2H3,(H,23,25)
InChIKeySKOUHSRNPBGZTP-UHFFFAOYSA-N
XLogP2.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-butylpropanamide
CID 56862260
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1-methoxy-2-methylpropan-2-yl)propanamide
CID 95502531
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-(1,3-dihydroxypropan-2-yl)propanamide
CID 95558736
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-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate?
The IUPAC name of methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate (CID 56871088) is methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate.
What is the SMILES notation for methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate?
The canonical SMILES for methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate is COC(=O)CNC(=O)CCC1(Cc2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate?
The InChIKey is SKOUHSRNPBGZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-24-18-11-7-6-10-17(18)22(21(24)27,14-16-8-4-3-5-9-16)13-12-19(25)23-15-20(26)28-2/h3-11H,12-15H2,1-2H3,(H,23,25).
What are the key properties of methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate?
methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate has a molecular weight of 380.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate is sourced from PubChem (CID 56871088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).