2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one

C15H20N2O2 — CID 82341096

IUPAC2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
SMILESCCC(=O)N1c2ccc(C(=O)C(C)N)cc2CC1C
InChIInChI=1S/C15H20N2O2/c1-4-14(18)17-9(2)7-12-8-11(5-6-13(12)17)15(19)10(3)16/h5-6,8-10H,4,7,16H2,1-3H3
InChIKeyGJNJNGLMGYVSJJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.90
Rot. Bonds3

About 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one

2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one (PubChem CID 82341096) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
PubChem CID82341096
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
SMILESCCC(=O)N1c2ccc(C(=O)C(C)N)cc2CC1C
InChIInChI=1S/C15H20N2O2/c1-4-14(18)17-9(2)7-12-8-11(5-6-13(12)17)15(19)10(3)16/h5-6,8-10H,4,7,16H2,1-3H3
InChIKeyGJNJNGLMGYVSJJ-UHFFFAOYSA-N
XLogP1.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82258673
1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82341066
1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 82259999
4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82341110
1-[5-(2-bromopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82258678
4-chloro-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82259137
2-chloro-1-[1-(2-methoxyacetyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259058
2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259056
1-[5-(2-bromo-2-methylpropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82258955
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)octan-1-one
CID 43550092
1-[5-(2-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 82341084

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one (CID 82341096) is 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one is CCC(=O)N1c2ccc(C(=O)C(C)N)cc2CC1C.
What is the InChIKey of 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one?
The InChIKey is GJNJNGLMGYVSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-14(18)17-9(2)7-12-8-11(5-6-13(12)17)15(19)10(3)16/h5-6,8-10H,4,7,16H2,1-3H3.
What are the key properties of 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one?
2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one is sourced from PubChem (CID 82341096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).