2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one

C19H20N2O3 — CID 4879988

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(NCc1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-13(19(22)21-9-8-15-4-2-3-5-16(15)21)20-11-14-6-7-17-18(10-14)24-12-23-17/h2-7,10,13,20H,8-9,11-12H2,1H3
InChIKeyXRCICDCEAPASEN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.48
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one

2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 4879988) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID4879988
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(NCc1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-13(19(22)21-9-8-15-4-2-3-5-16(15)21)20-11-14-6-7-17-18(10-14)24-12-23-17/h2-7,10,13,20H,8-9,11-12H2,1H3
InChIKeyXRCICDCEAPASEN-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 4879988) is 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(NCc1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is XRCICDCEAPASEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(19(22)21-9-8-15-4-2-3-5-16(15)21)20-11-14-6-7-17-18(10-14)24-12-23-17/h2-7,10,13,20H,8-9,11-12H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 324.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 4879988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).