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

C16H22N2O2 — CID 82341110

IUPAC4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one
SMILESCCC(=O)N1c2ccc(C(=O)CCCN)cc2CC1C
InChIInChI=1S/C16H22N2O2/c1-3-16(20)18-11(2)9-13-10-12(6-7-14(13)18)15(19)5-4-8-17/h6-7,10-11H,3-5,8-9,17H2,1-2H3
InChIKeyGCQFPLQLKRFGFW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.30
Rot. Bonds5

About 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one

4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one (PubChem CID 82341110) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one
PubChem CID82341110
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one
SMILESCCC(=O)N1c2ccc(C(=O)CCCN)cc2CC1C
InChIInChI=1S/C16H22N2O2/c1-3-16(20)18-11(2)9-13-10-12(6-7-14(13)18)15(19)5-4-8-17/h6-7,10-11H,3-5,8-9,17H2,1-2H3
InChIKeyGCQFPLQLKRFGFW-UHFFFAOYSA-N
XLogP2.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82259137
2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82341096
2-bromo-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82258673
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)octan-1-one
CID 43550092
1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 82259999
methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347199
4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82340972
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
1-[5-(4-aminobutyl)-2-methyl-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
CID 82260067
1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340988
1-[5-(2-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 82341084
1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82341066

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one?
The IUPAC name of 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one (CID 82341110) is 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one is CCC(=O)N1c2ccc(C(=O)CCCN)cc2CC1C.
What is the InChIKey of 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one?
The InChIKey is GCQFPLQLKRFGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-16(20)18-11(2)9-13-10-12(6-7-14(13)18)15(19)5-4-8-17/h6-7,10-11H,3-5,8-9,17H2,1-2H3.
What are the key properties of 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one?
4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one has a molecular weight of 274.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one is sourced from PubChem (CID 82341110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).