2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone

C17H24N2O — CID 47406128

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESCC(N(C)CC(=O)c1c[nH]c2ccccc12)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-12(17(2,3)4)19(5)11-16(20)14-10-18-15-9-7-6-8-13(14)15/h6-10,12,18H,11H2,1-5H3
InChIKeyXNEXMMZJNLQYBO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.72
Rot. Bonds4

About 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone

2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone (PubChem CID 47406128) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
PubChem CID47406128
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESCC(N(C)CC(=O)c1c[nH]c2ccccc12)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-12(17(2,3)4)19(5)11-16(20)14-10-18-15-9-7-6-8-13(14)15/h6-10,12,18H,11H2,1-5H3
InChIKeyXNEXMMZJNLQYBO-UHFFFAOYSA-N
XLogP3.72
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074
4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
CID 116916106
5-(1H-indol-3-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 55156722
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573298
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 62029005
ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate
CID 56526195
3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
CID 62035138

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone (CID 47406128) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone is CC(N(C)CC(=O)c1c[nH]c2ccccc12)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone?
The InChIKey is XNEXMMZJNLQYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(17(2,3)4)19(5)11-16(20)14-10-18-15-9-7-6-8-13(14)15/h6-10,12,18H,11H2,1-5H3.
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone?
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 47406128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).