2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide

C20H23NO3 — CID 110649611

IUPAC2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
SMILESCOc1cc2c(cc1OC)C(CC(=O)N(C)c1ccccc1)CC2
InChIInChI=1S/C20H23NO3/c1-21(16-7-5-4-6-8-16)20(22)12-15-10-9-14-11-18(23-2)19(24-3)13-17(14)15/h4-8,11,13,15H,9-10,12H2,1-3H3
InChIKeyUZTABYQBWUSYCV-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.79
Rot. Bonds5

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

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide (PubChem CID 110649611) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
PubChem CID110649611
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
SMILESCOc1cc2c(cc1OC)C(CC(=O)N(C)c1ccccc1)CC2
InChIInChI=1S/C20H23NO3/c1-21(16-7-5-4-6-8-16)20(22)12-15-10-9-14-11-18(23-2)19(24-3)13-17(14)15/h4-8,11,13,15H,9-10,12H2,1-3H3
InChIKeyUZTABYQBWUSYCV-UHFFFAOYSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 110648025
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
CID 25146025
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110647716
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 25145905
2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
CID 109003065
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110648738
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110649068
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide
CID 110636042
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 95121443
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110648172

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide (CID 110649611) is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide is COc1cc2c(cc1OC)C(CC(=O)N(C)c1ccccc1)CC2.
What is the InChIKey of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide?
The InChIKey is UZTABYQBWUSYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21(16-7-5-4-6-8-16)20(22)12-15-10-9-14-11-18(23-2)19(24-3)13-17(14)15/h4-8,11,13,15H,9-10,12H2,1-3H3.
What are the key properties of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide?
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide has a molecular weight of 325.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 110649611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).