1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

C17H26N2O — CID 82259999

IUPAC1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1c2ccc(CC(N)C(C)C)cc2CC1C
InChIInChI=1S/C17H26N2O/c1-5-17(20)19-12(4)8-14-9-13(6-7-16(14)19)10-15(18)11(2)3/h6-7,9,11-12,15H,5,8,10,18H2,1-4H3
InChIKeyNMPSUARYISJESC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.90
Rot. Bonds4

About 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 82259999) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID82259999
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1c2ccc(CC(N)C(C)C)cc2CC1C
InChIInChI=1S/C17H26N2O/c1-5-17(20)19-12(4)8-14-9-13(6-7-16(14)19)10-15(18)11(2)3/h6-7,9,11-12,15H,5,8,10,18H2,1-4H3
InChIKeyNMPSUARYISJESC-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82341096
1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone
CID 82259710
2-bromo-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82258673
1-[5-(2-amino-1-hydroxypropyl)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 82341084
1-[5-(2-bromopentyl)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 82259375
4-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82341110
1-[2-methyl-5-(2-piperazin-1-ylpropyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82260617
[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259947
1-[5-(2-aminopropanoyl)-2-methyl-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82341066
3-methyl-1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82260576
2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15993618
1-[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259189

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 82259999) is 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1c2ccc(CC(N)C(C)C)cc2CC1C.
What is the InChIKey of 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is NMPSUARYISJESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-17(20)19-12(4)8-14-9-13(6-7-16(14)19)10-15(18)11(2)3/h6-7,9,11-12,15H,5,8,10,18H2,1-4H3.
What are the key properties of 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 82259999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).