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

C14H19NO3 — CID 25147351

IUPAC2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H19NO3/c1-15-14(16)7-10-5-4-9-6-12(17-2)13(18-3)8-11(9)10/h6,8,10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyXVTXMAIUXHGJGA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.87
Rot. Bonds4

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

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (PubChem CID 25147351) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
PubChem CID25147351
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H19NO3/c1-15-14(16)7-10-5-4-9-6-12(17-2)13(18-3)8-11(9)10/h6,8,10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyXVTXMAIUXHGJGA-UHFFFAOYSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110648738
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110648172
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)-1-pyrrolidin-1-ylethanone
CID 25146025
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 25145905
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
CID 110649611
N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 110648025
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]-3-(4-methoxyphenyl)propanamide
CID 110636033
2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84639455
2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 67800169

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (CID 25147351) is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide is CNC(=O)CC1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The InChIKey is XVTXMAIUXHGJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-14(16)7-10-5-4-9-6-12(17-2)13(18-3)8-11(9)10/h6,8,10H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide has a molecular weight of 249.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 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-methylacetamide is sourced from PubChem (CID 25147351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).