N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide

C19H20N2O3 — CID 4824513

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H20N2O3/c22-19(13-21-9-8-14-4-1-2-5-16(14)21)20-15-6-7-17-18(12-15)24-11-3-10-23-17/h1-2,4-7,12H,3,8-11,13H2,(H,20,22)
InChIKeyZWQUJYOPSHZZFL-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.85
Rot. Bonds3

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide (PubChem CID 4824513) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide
PubChem CID4824513
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H20N2O3/c22-19(13-21-9-8-14-4-1-2-5-16(14)21)20-15-6-7-17-18(12-15)24-11-3-10-23-17/h1-2,4-7,12H,3,8-11,13H2,(H,20,22)
InChIKeyZWQUJYOPSHZZFL-UHFFFAOYSA-N
XLogP2.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide (CID 4824513) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide is O=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
The InChIKey is ZWQUJYOPSHZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19(13-21-9-8-14-4-1-2-5-16(14)21)20-15-6-7-17-18(12-15)24-11-3-10-23-17/h1-2,4-7,12H,3,8-11,13H2,(H,20,22).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 4824513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).