N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide

C17H24N2O6 — CID 108528652

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide
SMILESCOCCN(CCOC)C(=O)C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C17H24N2O6/c1-22-9-7-19(8-10-23-2)17(21)16(20)18-11-13-12-24-14-5-3-4-6-15(14)25-13/h3-6,13H,7-12H2,1-2H3,(H,18,20)
InChIKeyAFHOQYOZSVHPSO-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.06
Rot. Bonds8

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide (PubChem CID 108528652) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide
PubChem CID108528652
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide
SMILESCOCCN(CCOC)C(=O)C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C17H24N2O6/c1-22-9-7-19(8-10-23-2)17(21)16(20)18-11-13-12-24-14-5-3-4-6-15(14)25-13/h3-6,13H,7-12H2,1-2H3,(H,18,20)
InChIKeyAFHOQYOZSVHPSO-UHFFFAOYSA-N
XLogP0.06
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-ethyl-N'-phenyloxamide
CID 108518700
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-prop-2-enyloxamide
CID 108526464
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-propan-2-yloxamide
CID 34566020
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxyethanamine
CID 60719601
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941406
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 111270616
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3,4-trimethoxybenzamide
CID 3143895
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide (CID 108528652) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide is COCCN(CCOC)C(=O)C(=O)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide?
The InChIKey is AFHOQYOZSVHPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-22-9-7-19(8-10-23-2)17(21)16(20)18-11-13-12-24-14-5-3-4-6-15(14)25-13/h3-6,13H,7-12H2,1-2H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide has a molecular weight of 352.39 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide is sourced from PubChem (CID 108528652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).