N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide

C19H21NO3 — CID 903862

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C19H21NO3/c1-22-17-9-6-13(10-18(17)23-2)11-19(21)20-16-8-7-14-4-3-5-15(14)12-16/h6-10,12H,3-5,11H2,1-2H3,(H,20,21)
InChIKeyJDAZWUZCXQRESL-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.37
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 903862) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID903862
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C19H21NO3/c1-22-17-9-6-13(10-18(17)23-2)11-19(21)20-16-8-7-14-4-3-5-15(14)12-16/h6-10,12H,3-5,11H2,1-2H3,(H,20,21)
InChIKeyJDAZWUZCXQRESL-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 903862) is N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is JDAZWUZCXQRESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-17-9-6-13(10-18(17)23-2)11-19(21)20-16-8-7-14-4-3-5-15(14)12-16/h6-10,12H,3-5,11H2,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 903862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).