N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide

C15H15N3O4 — CID 121086747

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
SMILESCc1ccnc(OCC(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H15N3O4/c1-10-4-5-16-15(17-10)22-9-14(19)18-11-2-3-12-13(8-11)21-7-6-20-12/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyOQWRUZSKXYEYKA-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.57
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide (PubChem CID 121086747) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
PubChem CID121086747
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
SMILESCc1ccnc(OCC(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H15N3O4/c1-10-4-5-16-15(17-10)22-9-14(19)18-11-2-3-12-13(8-11)21-7-6-20-12/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyOQWRUZSKXYEYKA-UHFFFAOYSA-N
XLogP1.57
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 110370546
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
CID 108800716
methyl 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]phenyl]acetate
CID 7695270
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
CID 60702748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298895

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide (CID 121086747) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide is Cc1ccnc(OCC(=O)Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide?
The InChIKey is OQWRUZSKXYEYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-10-4-5-16-15(17-10)22-9-14(19)18-11-2-3-12-13(8-11)21-7-6-20-12/h2-5,8H,6-7,9H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide has a molecular weight of 301.30 g/mol, XLogP of 1.57, 4 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-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide is sourced from PubChem (CID 121086747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).