N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide

C17H16N2O3 — CID 2064203

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N2O3/c20-17(10-19-8-7-12-3-1-2-4-14(12)19)18-13-5-6-15-16(9-13)22-11-21-15/h1-6,9H,7-8,10-11H2,(H,18,20)
InChIKeyPSVVXFCWXIVLTM-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.42
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide (PubChem CID 2064203) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide
PubChem CID2064203
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N2O3/c20-17(10-19-8-7-12-3-1-2-4-14(12)19)18-13-5-6-15-16(9-13)22-11-21-15/h1-6,9H,7-8,10-11H2,(H,18,20)
InChIKeyPSVVXFCWXIVLTM-UHFFFAOYSA-N
XLogP2.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide (CID 2064203) is N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide is O=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
The InChIKey is PSVVXFCWXIVLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-17(10-19-8-7-12-3-1-2-4-14(12)19)18-13-5-6-15-16(9-13)22-11-21-15/h1-6,9H,7-8,10-11H2,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 2064203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).