ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate

C18H24N2O3 — CID 56526195

IUPACethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)c1c[nH]c2ccccc12)CC(C)C
InChIInChI=1S/C18H24N2O3/c1-4-23-18(22)12-20(10-13(2)3)11-17(21)15-9-19-16-8-6-5-7-14(15)16/h5-9,13,19H,4,10-12H2,1-3H3
InChIKeyRCHUHFKZORSWGH-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.87
Rot. Bonds8

About ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate

ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate (PubChem CID 56526195) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate
PubChem CID56526195
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)c1c[nH]c2ccccc12)CC(C)C
InChIInChI=1S/C18H24N2O3/c1-4-23-18(22)12-20(10-13(2)3)11-17(21)15-9-19-16-8-6-5-7-14(15)16/h5-9,13,19H,4,10-12H2,1-3H3
InChIKeyRCHUHFKZORSWGH-UHFFFAOYSA-N
XLogP2.87
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate with MolForge

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Related Compounds

ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 143885849
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
CID 62035138
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
CID 116916106
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
diethyl (E)-2-hydroxy-3-(1H-indol-3-yl)but-2-enedioate
CID 177467670

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate (CID 56526195) is ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(=O)c1c[nH]c2ccccc12)CC(C)C.
What is the InChIKey of ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate?
The InChIKey is RCHUHFKZORSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-23-18(22)12-20(10-13(2)3)11-17(21)15-9-19-16-8-6-5-7-14(15)16/h5-9,13,19H,4,10-12H2,1-3H3.
What are the key properties of ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate?
ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate has a molecular weight of 316.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 56526195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).