2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide

C19H21NO3 — CID 2611417

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C19H21NO3/c1-22-18-8-3-2-5-16(18)12-20-19(21)13-23-17-10-9-14-6-4-7-15(14)11-17/h2-3,5,8-11H,4,6-7,12-13H2,1H3,(H,20,21)
InChIKeyUMLZLKOLVZJAAQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.88
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 2611417) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID2611417
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C19H21NO3/c1-22-18-8-3-2-5-16(18)12-20-19(21)13-23-17-10-9-14-6-4-7-15(14)11-17/h2-3,5,8-11H,4,6-7,12-13H2,1H3,(H,20,21)
InChIKeyUMLZLKOLVZJAAQ-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide (CID 2611417) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is UMLZLKOLVZJAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-18-8-3-2-5-16(18)12-20-19(21)13-23-17-10-9-14-6-4-7-15(14)11-17/h2-3,5,8-11H,4,6-7,12-13H2,1H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2611417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).