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

C17H24N2O — CID 96679635

IUPAC1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)c1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H24N2O/c1-11(2)18-10-16(20)14-9-19-15-7-6-12(8-13(14)15)17(3,4)5/h6-9,11,18-19H,10H2,1-5H3
InChIKeyQHLKCQLKNHCLCC-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.65
Rot. Bonds4

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

1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 96679635) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
PubChem CID96679635
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)c1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H24N2O/c1-11(2)18-10-16(20)14-9-19-15-7-6-12(8-13(14)15)17(3,4)5/h6-9,11,18-19H,10H2,1-5H3
InChIKeyQHLKCQLKNHCLCC-UHFFFAOYSA-N
XLogP3.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
2-(5-tert-butyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82497815
5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
CID 106985157
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96675265
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid
CID 84632317
1-(5-ethoxy-1H-indol-3-yl)-3,4,4-trimethylpentan-1-one
CID 80649085
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
5-tert-butyl-3-pentan-2-yl-1H-indole
CID 106985614
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone (CID 96679635) is 1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)c1c[nH]c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is QHLKCQLKNHCLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11(2)18-10-16(20)14-9-19-15-7-6-12(8-13(14)15)17(3,4)5/h6-9,11,18-19H,10H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 272.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 96679635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).