1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone

C17H24N2O — CID 96679633

IUPAC1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCc1[nH]c2ccc(C(C)C)cc2c1C(=O)CNC(C)C
InChIInChI=1S/C17H24N2O/c1-10(2)13-6-7-15-14(8-13)17(12(5)19-15)16(20)9-18-11(3)4/h6-8,10-11,18-19H,9H2,1-5H3
InChIKeySTRCHLVGUIFJJO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone

1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 96679633) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
PubChem CID96679633
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCc1[nH]c2ccc(C(C)C)cc2c1C(=O)CNC(C)C
InChIInChI=1S/C17H24N2O/c1-10(2)13-6-7-15-14(8-13)17(12(5)19-15)16(20)9-18-11(3)4/h6-8,10-11,18-19H,9H2,1-5H3
InChIKeySTRCHLVGUIFJJO-UHFFFAOYSA-N
XLogP3.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone (CID 96679633) is 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone is Cc1[nH]c2ccc(C(C)C)cc2c1C(=O)CNC(C)C.
What is the InChIKey of 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is STRCHLVGUIFJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-10(2)13-6-7-15-14(8-13)17(12(5)19-15)16(20)9-18-11(3)4/h6-8,10-11,18-19H,9H2,1-5H3.
What are the key properties of 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 272.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 96679633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).