[4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate

C17H20N2O4 — CID 146169664

IUPAC[4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CC(=O)NCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H20N2O4/c1-11(20)23-17(2,3)8-16(22)19-10-15(21)13-9-18-14-7-5-4-6-12(13)14/h4-7,9,18H,8,10H2,1-3H3,(H,19,22)
InChIKeyFLKUKSRJUSPOAV-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.20
Rot. Bonds6

About [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate

[4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate (PubChem CID 146169664) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate.

Molecular Properties

Compound Name[4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate
PubChem CID146169664
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CC(=O)NCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H20N2O4/c1-11(20)23-17(2,3)8-16(22)19-10-15(21)13-9-18-14-7-5-4-6-12(13)14/h4-7,9,18H,8,10H2,1-3H3,(H,19,22)
InChIKeyFLKUKSRJUSPOAV-UHFFFAOYSA-N
XLogP2.20
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate with MolForge

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Related Compounds

tert-butyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 10040581
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
5-(1H-indol-3-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 55156722
2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655257
methyl 3-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]benzoate
CID 110655289
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655332
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate?
The IUPAC name of [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate (CID 146169664) is [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate.
What is the SMILES notation for [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate?
The canonical SMILES for [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate is CC(=O)OC(C)(C)CC(=O)NCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate?
The InChIKey is FLKUKSRJUSPOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(20)23-17(2,3)8-16(22)19-10-15(21)13-9-18-14-7-5-4-6-12(13)14/h4-7,9,18H,8,10H2,1-3H3,(H,19,22).
What are the key properties of [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate?
[4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate has a molecular weight of 316.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-methyl-4-oxobutan-2-yl] acetate is sourced from PubChem (CID 146169664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).