2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one

C19H22N2O — CID 82257869

IUPAC2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
SMILESCCC(NCc1ccccc1)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C19H22N2O/c1-2-17(21-13-14-6-4-3-5-7-14)19(22)16-8-9-18-15(12-16)10-11-20-18/h3-9,12,17,20-21H,2,10-11,13H2,1H3
InChIKeyQPPNPQGBYAXDEK-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.41
Rot. Bonds6

About 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one

2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one (PubChem CID 82257869) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one.

Molecular Properties

Compound Name2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
PubChem CID82257869
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
SMILESCCC(NCc1ccccc1)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C19H22N2O/c1-2-17(21-13-14-6-4-3-5-7-14)19(22)16-8-9-18-15(12-16)10-11-20-18/h3-9,12,17,20-21H,2,10-11,13H2,1H3
InChIKeyQPPNPQGBYAXDEK-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one?
The IUPAC name of 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one (CID 82257869) is 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one.
What is the SMILES notation for 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one?
The canonical SMILES for 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one is CCC(NCc1ccccc1)C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one?
The InChIKey is QPPNPQGBYAXDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-17(21-13-14-6-4-3-5-7-14)19(22)16-8-9-18-15(12-16)10-11-20-18/h3-9,12,17,20-21H,2,10-11,13H2,1H3.
What are the key properties of 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one?
2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one has a molecular weight of 294.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one is sourced from PubChem (CID 82257869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).