2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide

C14H17NO4 — CID 82160021

IUPAC2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC(=O)c2cc(OC)cc(OC)c21
InChIInChI=1S/C14H17NO4/c1-15-13(17)5-8-4-11(16)10-6-9(18-2)7-12(19-3)14(8)10/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyZTDXGGSVIYFHBK-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.51
Rot. Bonds4

About 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide

2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide (PubChem CID 82160021) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
PubChem CID82160021
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC(=O)c2cc(OC)cc(OC)c21
InChIInChI=1S/C14H17NO4/c1-15-13(17)5-8-4-11(16)10-6-9(18-2)7-12(19-3)14(8)10/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyZTDXGGSVIYFHBK-UHFFFAOYSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
CID 82160023
(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
CID 132569592
4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159611
methyl (2S,3R)-1-methyl-5-oxo-3-(2,4,6-trimethoxyphenyl)pyrrolidine-2-carboxylate
CID 67165242
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
2-(2-methylpropanoyl)-5-(2,4,6-trimethoxyphenyl)cyclohexane-1,3-dione
CID 52950803
5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82158652
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159610
methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
CID 170874053
methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
CID 4987525
1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
CID 154196757

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide (CID 82160021) is 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide is CNC(=O)CC1CC(=O)c2cc(OC)cc(OC)c21.
What is the InChIKey of 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide?
The InChIKey is ZTDXGGSVIYFHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15-13(17)5-8-4-11(16)10-6-9(18-2)7-12(19-3)14(8)10/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide?
2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide has a molecular weight of 263.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide is sourced from PubChem (CID 82160021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).