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

C19H18N2O5 — CID 650930

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)OCCO3)C(=O)CO2
InChIInChI=1S/C19H18N2O5/c1-12-2-4-15-14(8-12)21(19(23)11-26-15)10-18(22)20-13-3-5-16-17(9-13)25-7-6-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,22)
InChIKeyLTIAQAFXSRAAEA-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.13
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 650930) 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-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID650930
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)OCCO3)C(=O)CO2
InChIInChI=1S/C19H18N2O5/c1-12-2-4-15-14(8-12)21(19(23)11-26-15)10-18(22)20-13-3-5-16-17(9-13)25-7-6-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,22)
InChIKeyLTIAQAFXSRAAEA-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 650930) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-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-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)OCCO3)C(=O)CO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is LTIAQAFXSRAAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12-2-4-15-14(8-12)21(19(23)11-26-15)10-18(22)20-13-3-5-16-17(9-13)25-7-6-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 354.36 g/mol, XLogP of 2.13, 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-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 650930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).