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

C16H22N2O2 — CID 82340972

IUPAC4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
SMILESCCCC(=O)N1CCc2cc(C(=O)CCCN)ccc21
InChIInChI=1S/C16H22N2O2/c1-2-4-16(20)18-10-8-12-11-13(6-7-14(12)18)15(19)5-3-9-17/h6-7,11H,2-5,8-10,17H2,1H3
InChIKeyFDIMWIZVDUWACD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.30
Rot. Bonds6

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

4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one (PubChem CID 82340972) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
PubChem CID82340972
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
SMILESCCCC(=O)N1CCc2cc(C(=O)CCCN)ccc21
InChIInChI=1S/C16H22N2O2/c1-2-4-16(20)18-10-8-12-11-13(6-7-14(12)18)15(19)5-3-9-17/h6-7,11H,2-5,8-10,17H2,1H3
InChIKeyFDIMWIZVDUWACD-UHFFFAOYSA-N
XLogP2.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340988
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
2-bromo-1-(1-butanoyl-2,3-dihydroindol-5-yl)pentan-1-one
CID 82258792
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353
1-[5-(2-bromo-2-methylpropanoyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82258935
2-bromo-3-methyl-1-(1-pentanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82258864
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767
1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82340965
7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride
CID 119706831
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82259061

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one?
The IUPAC name of 4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one (CID 82340972) is 4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one is CCCC(=O)N1CCc2cc(C(=O)CCCN)ccc21.
What is the InChIKey of 4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one?
The InChIKey is FDIMWIZVDUWACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-4-16(20)18-10-8-12-11-13(6-7-14(12)18)15(19)5-3-9-17/h6-7,11H,2-5,8-10,17H2,1H3.
What are the key properties of 4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one?
4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one has a molecular weight of 274.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one is sourced from PubChem (CID 82340972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).