2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide

C14H17NO4 — CID 82160023

IUPAC2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC(=O)c2c(OC)ccc(OC)c21
InChIInChI=1S/C14H17NO4/c1-15-12(17)7-8-6-9(16)14-11(19-3)5-4-10(18-2)13(8)14/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyMPNMQHZCNMRKNM-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.51
Rot. Bonds4

About 2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide

2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide (PubChem CID 82160023) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
PubChem CID82160023
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC(=O)c2c(OC)ccc(OC)c21
InChIInChI=1S/C14H17NO4/c1-15-12(17)7-8-6-9(16)14-11(19-3)5-4-10(18-2)13(8)14/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyMPNMQHZCNMRKNM-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-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
CID 82160021
4-methoxy-7-methyl-3-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 82082522
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one
CID 12943493
N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 17408178
4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159611
2-[(2R,5S)-5-[[[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide
CID 165420701
2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide
CID 85465202
2-[1-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-methylacetamide
CID 2936326
methyl 4,7-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 21191708
N-(5-chloro-2-methoxyphenyl)-2-[(7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 46405285
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide (CID 82160023) is 2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide is CNC(=O)CC1CC(=O)c2c(OC)ccc(OC)c21.
What is the InChIKey of 2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide?
The InChIKey is MPNMQHZCNMRKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15-12(17)7-8-6-9(16)14-11(19-3)5-4-10(18-2)13(8)14/h4-5,8H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 2-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide?
2-(4,7-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-(4,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide is sourced from PubChem (CID 82160023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).