4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide

C18H17NO4 — CID 23366111

IUPAC4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide
SMILESCOCOc1ccc(C(=O)NC2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO4/c1-22-11-23-14-8-6-12(7-9-14)18(21)19-16-10-13-4-2-3-5-15(13)17(16)20/h2-9,16H,10-11H2,1H3,(H,19,21)
InChIKeyGPJSUIQBPRBQHR-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.21
Rot. Bonds5

About 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide

4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide (PubChem CID 23366111) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide.

Molecular Properties

Compound Name4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide
PubChem CID23366111
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide
SMILESCOCOc1ccc(C(=O)NC2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO4/c1-22-11-23-14-8-6-12(7-9-14)18(21)19-16-10-13-4-2-3-5-15(13)17(16)20/h2-9,16H,10-11H2,1H3,(H,19,21)
InChIKeyGPJSUIQBPRBQHR-UHFFFAOYSA-N
XLogP2.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide?
The IUPAC name of 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide (CID 23366111) is 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide.
What is the SMILES notation for 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide?
The canonical SMILES for 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide is COCOc1ccc(C(=O)NC2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide?
The InChIKey is GPJSUIQBPRBQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-11-23-14-8-6-12(7-9-14)18(21)19-16-10-13-4-2-3-5-15(13)17(16)20/h2-9,16H,10-11H2,1H3,(H,19,21).
What are the key properties of 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide?
4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide is sourced from PubChem (CID 23366111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).