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

C16H23NO3 — CID 25145899

IUPAC2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H23NO3/c1-4-7-17-16(18)9-12-6-5-11-8-14(19-2)15(20-3)10-13(11)12/h8,10,12H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyWRQOEKMVHKNYAU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds6

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

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide (PubChem CID 25145899) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide
PubChem CID25145899
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H23NO3/c1-4-7-17-16(18)9-12-6-5-11-8-14(19-2)15(20-3)10-13(11)12/h8,10,12H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyWRQOEKMVHKNYAU-UHFFFAOYSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide?
The IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide (CID 25145899) is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide is CCCNC(=O)CC1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide?
The InChIKey is WRQOEKMVHKNYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-7-17-16(18)9-12-6-5-11-8-14(19-2)15(20-3)10-13(11)12/h8,10,12H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide?
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-propylacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.65, 6 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-propylacetamide is sourced from PubChem (CID 25145899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).