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

C18H18N2O3 — CID 2368565

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O3/c21-18(11-20-8-7-14-3-1-2-4-15(14)20)19-10-13-5-6-16-17(9-13)23-12-22-16/h1-6,9H,7-8,10-12H2,(H,19,21)
InChIKeyVRPPJNKZUOOPKT-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.09
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide (PubChem CID 2368565) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide
PubChem CID2368565
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O3/c21-18(11-20-8-7-14-3-1-2-4-15(14)20)19-10-13-5-6-16-17(9-13)23-12-22-16/h1-6,9H,7-8,10-12H2,(H,19,21)
InChIKeyVRPPJNKZUOOPKT-UHFFFAOYSA-N
XLogP2.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.09
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-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide (CID 2368565) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide is O=C(CN1CCc2ccccc21)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide?
The InChIKey is VRPPJNKZUOOPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-18(11-20-8-7-14-3-1-2-4-15(14)20)19-10-13-5-6-16-17(9-13)23-12-22-16/h1-6,9H,7-8,10-12H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.09, 4 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-ylmethyl)-2-(2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 2368565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).