N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

C18H17NO4 — CID 2709578

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17NO4/c20-18(19-14-5-7-16-17(9-14)23-11-22-16)10-21-15-6-4-12-2-1-3-13(12)8-15/h4-9H,1-3,10-11H2,(H,19,20)
InChIKeyZKTGRFYFPBNNQW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.92
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 2709578) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID2709578
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17NO4/c20-18(19-14-5-7-16-17(9-14)23-11-22-16)10-21-15-6-4-12-2-1-3-13(12)8-15/h4-9H,1-3,10-11H2,(H,19,20)
InChIKeyZKTGRFYFPBNNQW-UHFFFAOYSA-N
XLogP2.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 4802367
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-fluorophenyl)acetamide
CID 2611402
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
CID 2627640
N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
CID 112978730
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106631
N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1082985
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 2709578) is N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is O=C(COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is ZKTGRFYFPBNNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-18(19-14-5-7-16-17(9-14)23-11-22-16)10-21-15-6-4-12-2-1-3-13(12)8-15/h4-9H,1-3,10-11H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.92, 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-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 2709578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).