2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone

C16H22N2O — CID 82500160

IUPAC2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone
SMILESCc1ccc(C)c2c1c(C(=O)CNC(C)C)cn2C
InChIInChI=1S/C16H22N2O/c1-10(2)17-8-14(19)13-9-18(5)16-12(4)7-6-11(3)15(13)16/h6-7,9-10,17H,8H2,1-5H3
InChIKeyFKHGAAQKULXSNX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.98
Rot. Bonds4

About 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone

2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone (PubChem CID 82500160) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone
PubChem CID82500160
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone
SMILESCc1ccc(C)c2c1c(C(=O)CNC(C)C)cn2C
InChIInChI=1S/C16H22N2O/c1-10(2)17-8-14(19)13-9-18(5)16-12(4)7-6-11(3)15(13)16/h6-7,9-10,17H,8H2,1-5H3
InChIKeyFKHGAAQKULXSNX-UHFFFAOYSA-N
XLogP2.98
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone?
The IUPAC name of 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone (CID 82500160) is 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone?
The canonical SMILES for 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone is Cc1ccc(C)c2c1c(C(=O)CNC(C)C)cn2C.
What is the InChIKey of 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone?
The InChIKey is FKHGAAQKULXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(2)17-8-14(19)13-9-18(5)16-12(4)7-6-11(3)15(13)16/h6-7,9-10,17H,8H2,1-5H3.
What are the key properties of 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone?
2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone is sourced from PubChem (CID 82500160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).