N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide

C18H17N3O5 — CID 46321949

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1oc2ncnc(OCC(=O)Nc3ccc4c(c3)OCCO4)c2c1C
InChIInChI=1S/C18H17N3O5/c1-10-11(2)26-18-16(10)17(19-9-20-18)25-8-15(22)21-12-3-4-13-14(7-12)24-6-5-23-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,22)
InChIKeyWJOYWOCDNWRYRA-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.63
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 46321949) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide
PubChem CID46321949
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1oc2ncnc(OCC(=O)Nc3ccc4c(c3)OCCO4)c2c1C
InChIInChI=1S/C18H17N3O5/c1-10-11(2)26-18-16(10)17(19-9-20-18)25-8-15(22)21-12-3-4-13-14(7-12)24-6-5-23-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,22)
InChIKeyWJOYWOCDNWRYRA-UHFFFAOYSA-N
XLogP2.63
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086747
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
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46321916
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 32511589
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 110370546
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
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
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide (CID 46321949) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide is Cc1oc2ncnc(OCC(=O)Nc3ccc4c(c3)OCCO4)c2c1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is WJOYWOCDNWRYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-10-11(2)26-18-16(10)17(19-9-20-18)25-8-15(22)21-12-3-4-13-14(7-12)24-6-5-23-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 355.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 46321949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).