N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C19H18N2O5 — CID 656315

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C19H18N2O5/c1-12-19(23)21(14-4-2-3-5-15(14)26-12)11-18(22)20-13-6-7-16-17(10-13)25-9-8-24-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,22)
InChIKeyFNYKDVUQEJSHCJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.21
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 656315) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID656315
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C19H18N2O5/c1-12-19(23)21(14-4-2-3-5-15(14)26-12)11-18(22)20-13-6-7-16-17(10-13)25-9-8-24-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,22)
InChIKeyFNYKDVUQEJSHCJ-UHFFFAOYSA-N
XLogP2.21
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide with MolForge

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Related Compounds

Eltoprazine
CID 65853
Eltoprazine hydrochloride
CID 3025067
N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
Cyclohexanecarboxylic acid {2-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-]ethyl}-amide
CID 9799670
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride
CID 45261096
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
CID 45261110
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)acetamide
CID 2984348
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenoxy)acetamide
CID 2986739
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-N'-(2-phenylethyl)ethane-1,2-diamide
CID 3154023

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 656315) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is FNYKDVUQEJSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12-19(23)21(14-4-2-3-5-15(14)26-12)11-18(22)20-13-6-7-16-17(10-13)25-9-8-24-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 354.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 656315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).