N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide

C13H14N2O4 — CID 7584944

IUPACN-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(=O)NC1CC1
InChIInChI=1S/C13H14N2O4/c16-12(14-8-1-2-8)13(17)15-9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8H,1-2,5-6H2,(H,14,16)(H,15,17)
InChIKeyMIGGOFLEKUCCSV-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.67
Rot. Bonds2

About N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide

N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide (PubChem CID 7584944) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
PubChem CID7584944
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC NameN-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(=O)NC1CC1
InChIInChI=1S/C13H14N2O4/c16-12(14-8-1-2-8)13(17)15-9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8H,1-2,5-6H2,(H,14,16)(H,15,17)
InChIKeyMIGGOFLEKUCCSV-UHFFFAOYSA-N
XLogP0.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.67
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-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide?
The IUPAC name of N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide (CID 7584944) is N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide.
What is the SMILES notation for N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide?
The canonical SMILES for N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide is O=C(Nc1ccc2c(c1)OCCO2)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide?
The InChIKey is MIGGOFLEKUCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-12(14-8-1-2-8)13(17)15-9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8H,1-2,5-6H2,(H,14,16)(H,15,17).
What are the key properties of N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide?
N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide has a molecular weight of 262.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide is sourced from PubChem (CID 7584944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).