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

C18H18N2O4 — CID 3154023

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O4/c21-17(19-9-8-13-4-2-1-3-5-13)18(22)20-14-6-7-15-16(12-14)24-11-10-23-15/h1-7,12H,8-11H2,(H,19,21)(H,20,22)
InChIKeyGBSWHAZWCZZVFU-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.76
Rot. Bonds4

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

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide (PubChem CID 3154023) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide
PubChem CID3154023
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O4/c21-17(19-9-8-13-4-2-1-3-5-13)18(22)20-14-6-7-15-16(12-14)24-11-10-23-15/h1-7,12H,8-11H2,(H,19,21)(H,20,22)
InChIKeyGBSWHAZWCZZVFU-UHFFFAOYSA-N
XLogP1.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.76
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'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide (CID 3154023) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide?
The InChIKey is GBSWHAZWCZZVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(19-9-8-13-4-2-1-3-5-13)18(22)20-14-6-7-15-16(12-14)24-11-10-23-15/h1-7,12H,8-11H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide has a molecular weight of 326.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 3154023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).