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

C16H22N2O — CID 46800797

IUPAC2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCCCCN(C)CC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-4-5-10-18(3)11-15(19)16-12(2)17-14-9-7-6-8-13(14)16/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyATLKFSFBFDSUBI-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.39
Rot. Bonds6

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

2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 46800797) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID46800797
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCCCCN(C)CC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-4-5-10-18(3)11-15(19)16-12(2)17-14-9-7-6-8-13(14)16/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyATLKFSFBFDSUBI-UHFFFAOYSA-N
XLogP3.39
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 56526776
2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729683
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 78787776
N-(4-chlorophenyl)-2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]acetamide
CID 9167362
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9196744
2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
CID 61007359
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 46800797) is 2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone is CCCCN(C)CC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is ATLKFSFBFDSUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-5-10-18(3)11-15(19)16-12(2)17-14-9-7-6-8-13(14)16/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 46800797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).