4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

C13H15NO4 — CID 82159611

IUPAC4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCNC(=O)C1CC(=O)c2c(OC)cc(OC)cc21
InChIInChI=1S/C13H15NO4/c1-14-13(16)9-6-10(15)12-8(9)4-7(17-2)5-11(12)18-3/h4-5,9H,6H2,1-3H3,(H,14,16)
InChIKeyUPZISBRQVGKJOJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.12
Rot. Bonds3

About 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 82159611) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID82159611
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCNC(=O)C1CC(=O)c2c(OC)cc(OC)cc21
InChIInChI=1S/C13H15NO4/c1-14-13(16)9-6-10(15)12-8(9)4-7(17-2)5-11(12)18-3/h4-5,9H,6H2,1-3H3,(H,14,16)
InChIKeyUPZISBRQVGKJOJ-UHFFFAOYSA-N
XLogP1.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159610
5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82158652
3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45101397
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82158256
2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
CID 82160021
3-bromo-5,7-dimethoxy-3H-2-benzofuran-1-one
CID 20571343
2-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methylpropanamide
CID 21435235
3-(3,5-dimethoxyphenyl)-6,8-dimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 19388236
2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
CID 82160023
methyl 4-[(1S)-4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dimethoxybenzoate
CID 5324642
3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82159256

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (CID 82159611) is 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is CNC(=O)C1CC(=O)c2c(OC)cc(OC)cc21.
What is the InChIKey of 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is UPZISBRQVGKJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-14-13(16)9-6-10(15)12-8(9)4-7(17-2)5-11(12)18-3/h4-5,9H,6H2,1-3H3,(H,14,16).
What are the key properties of 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 82159611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).