N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide

C19H20N2O4 — CID 2951203

IUPACN'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)C2COc3ccccc3O2)cc1
InChIInChI=1S/C19H20N2O4/c1-12-7-9-14(10-8-12)21-19(23)18(22)20-13(2)17-11-24-15-5-3-4-6-16(15)25-17/h3-10,13,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXQDBOVFQHDMCNY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.28
Rot. Bonds3

About N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide

N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide (PubChem CID 2951203) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide
PubChem CID2951203
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)C2COc3ccccc3O2)cc1
InChIInChI=1S/C19H20N2O4/c1-12-7-9-14(10-8-12)21-19(23)18(22)20-13(2)17-11-24-15-5-3-4-6-16(15)25-17/h3-10,13,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXQDBOVFQHDMCNY-UHFFFAOYSA-N
XLogP2.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide (CID 2951203) is N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC(C)C2COc3ccccc3O2)cc1.
What is the InChIKey of N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide?
The InChIKey is XQDBOVFQHDMCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-7-9-14(10-8-12)21-19(23)18(22)20-13(2)17-11-24-15-5-3-4-6-16(15)25-17/h3-10,13,17H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide?
N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide has a molecular weight of 340.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 2951203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).