N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide

C20H22N2O6 — CID 2850760

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C20H22N2O6/c1-25-15-5-3-13(11-17(15)26-2)7-8-21-19(23)20(24)22-14-4-6-16-18(12-14)28-10-9-27-16/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXCKWKKUZUBUKPQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.77
Rot. Bonds6

About N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide (PubChem CID 2850760) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
PubChem CID2850760
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C20H22N2O6/c1-25-15-5-3-13(11-17(15)26-2)7-8-21-19(23)20(24)22-14-4-6-16-18(12-14)28-10-9-27-16/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXCKWKKUZUBUKPQ-UHFFFAOYSA-N
XLogP1.77
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide (CID 2850760) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The InChIKey is XCKWKKUZUBUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-25-15-5-3-13(11-17(15)26-2)7-8-21-19(23)20(24)22-14-4-6-16-18(12-14)28-10-9-27-16/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide has a molecular weight of 386.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 2850760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).