N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide

C22H20N2O4 — CID 2057228

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H20N2O4/c25-21(23-10-14-5-8-19-20(9-14)28-13-27-19)12-24-11-17(22(26)15-6-7-15)16-3-1-2-4-18(16)24/h1-5,8-9,11,15H,6-7,10,12-13H2,(H,23,25)
InChIKeyGTRCZEUZWGQJJO-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.28
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide (PubChem CID 2057228) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide
PubChem CID2057228
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H20N2O4/c25-21(23-10-14-5-8-19-20(9-14)28-13-27-19)12-24-11-17(22(26)15-6-7-15)16-3-1-2-4-18(16)24/h1-5,8-9,11,15H,6-7,10,12-13H2,(H,23,25)
InChIKeyGTRCZEUZWGQJJO-UHFFFAOYSA-N
XLogP3.28
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide (CID 2057228) is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide?
The InChIKey is GTRCZEUZWGQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(23-10-14-5-8-19-20(9-14)28-13-27-19)12-24-11-17(22(26)15-6-7-15)16-3-1-2-4-18(16)24/h1-5,8-9,11,15H,6-7,10,12-13H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide has a molecular weight of 376.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 2057228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).