1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

C16H14N2O5 — CID 6470323

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O5/c19-16(18-11-2-4-13-15(8-11)23-9-22-13)17-10-1-3-12-14(7-10)21-6-5-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19)
InChIKeyXEOBUSLELWJDNO-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.83
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea (PubChem CID 6470323) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
PubChem CID6470323
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O5/c19-16(18-11-2-4-13-15(8-11)23-9-22-13)17-10-1-3-12-14(7-10)21-6-5-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19)
InChIKeyXEOBUSLELWJDNO-UHFFFAOYSA-N
XLogP2.83
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea (CID 6470323) is 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea is O=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The InChIKey is XEOBUSLELWJDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c19-16(18-11-2-4-13-15(8-11)23-9-22-13)17-10-1-3-12-14(7-10)21-6-5-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea has a molecular weight of 314.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea is sourced from PubChem (CID 6470323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).