N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide

C20H23NO3 — CID 25145904

IUPACN-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(CC(=O)NCc1ccccc1)CC2
InChIInChI=1S/C20H23NO3/c1-23-18-10-15-8-9-16(17(15)12-19(18)24-2)11-20(22)21-13-14-6-4-3-5-7-14/h3-7,10,12,16H,8-9,11,13H2,1-2H3,(H,21,22)
InChIKeyOVWZBUBQBCCMSS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.44
Rot. Bonds6

About N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide

N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 25145904) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID25145904
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(CC(=O)NCc1ccccc1)CC2
InChIInChI=1S/C20H23NO3/c1-23-18-10-15-8-9-16(17(15)12-19(18)24-2)11-20(22)21-13-14-6-4-3-5-7-14/h3-7,10,12,16H,8-9,11,13H2,1-2H3,(H,21,22)
InChIKeyOVWZBUBQBCCMSS-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide (CID 25145904) is N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide is COc1cc2c(cc1OC)C(CC(=O)NCc1ccccc1)CC2.
What is the InChIKey of N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is OVWZBUBQBCCMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-18-10-15-8-9-16(17(15)12-19(18)24-2)11-20(22)21-13-14-6-4-3-5-7-14/h3-7,10,12,16H,8-9,11,13H2,1-2H3,(H,21,22).
What are the key properties of N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide?
N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 25145904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).