N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide

C18H16N2O3 — CID 39339095

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16N2O3/c21-18(12-20-8-7-13-3-1-2-4-15(13)20)19-14-5-6-16-17(11-14)23-10-9-22-16/h1-8,11H,9-10,12H2,(H,19,21)
InChIKeyRDHXTHABLMQPDM-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.05
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide (PubChem CID 39339095) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
PubChem CID39339095
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16N2O3/c21-18(12-20-8-7-13-3-1-2-4-15(13)20)19-14-5-6-16-17(11-14)23-10-9-22-16/h1-8,11H,9-10,12H2,(H,19,21)
InChIKeyRDHXTHABLMQPDM-UHFFFAOYSA-N
XLogP3.05
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrol-1-ylacetamide
CID 110688633
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
CID 4058006
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-2-ylsulfanylacetamide
CID 4165489
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369041
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 20944810
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-2-ylsulfanylacetamide
CID 1278676
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide (CID 39339095) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide?
The InChIKey is RDHXTHABLMQPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-18(12-20-8-7-13-3-1-2-4-15(13)20)19-14-5-6-16-17(11-14)23-10-9-22-16/h1-8,11H,9-10,12H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide has a molecular weight of 308.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide is sourced from PubChem (CID 39339095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).