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

C20H22N2O6 — CID 90598239

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1C(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)OC
InChIInChI=1S/C20H22N2O6/c1-25-15-6-4-3-5-14(15)18(26-2)12-21-19(23)20(24)22-13-7-8-16-17(11-13)28-10-9-27-16/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYIAKVGJIQRWJLG-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.91
Rot. Bonds6

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

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide (PubChem CID 90598239) 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-methoxy-2-(2-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
PubChem CID90598239
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1C(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)OC
InChIInChI=1S/C20H22N2O6/c1-25-15-6-4-3-5-14(15)18(26-2)12-21-19(23)20(24)22-13-7-8-16-17(11-13)28-10-9-27-16/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYIAKVGJIQRWJLG-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598246
N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide
CID 90623969
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613623
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]oxamide
CID 95367281
N'-(2,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598245
N'-(2,3-dimethylphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598203
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,6-dimethoxybenzamide
CID 110370532
(E)-2-benzoyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9448951
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 90598230
N'-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 124892004
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 110370718

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide (CID 90598239) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide is COc1ccccc1C(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)OC.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide?
The InChIKey is YIAKVGJIQRWJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-25-15-6-4-3-5-14(15)18(26-2)12-21-19(23)20(24)22-13-7-8-16-17(11-13)28-10-9-27-16/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide has a molecular weight of 386.40 g/mol, XLogP of 1.91, 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-methoxy-2-(2-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 90598239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).