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

C16H22N2O — CID 115146277

IUPAC1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c(N(C)CCC(C)C)[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-11(2)9-10-18(4)16-15(12(3)19)13-7-5-6-8-14(13)17-16/h5-8,11,17H,9-10H2,1-4H3
InChIKeyVNYOLODRLIKNMH-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.85
Rot. Bonds5

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

1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone (PubChem CID 115146277) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone
PubChem CID115146277
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c(N(C)CCC(C)C)[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-11(2)9-10-18(4)16-15(12(3)19)13-7-5-6-8-14(13)17-16/h5-8,11,17H,9-10H2,1-4H3
InChIKeyVNYOLODRLIKNMH-UHFFFAOYSA-N
XLogP3.85
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone?
The IUPAC name of 1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone (CID 115146277) is 1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone.
What is the SMILES notation for 1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone?
The canonical SMILES for 1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone is CC(=O)c1c(N(C)CCC(C)C)[nH]c2ccccc12.
What is the InChIKey of 1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone?
The InChIKey is VNYOLODRLIKNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)9-10-18(4)16-15(12(3)19)13-7-5-6-8-14(13)17-16/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of 1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone?
1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone has a molecular weight of 258.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone is sourced from PubChem (CID 115146277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).