1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea

C16H16N2O3 — CID 4738249

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
SMILESO=C(NCC1COc2ccccc2O1)Nc1ccccc1
InChIInChI=1S/C16H16N2O3/c19-16(18-12-6-2-1-3-7-12)17-10-13-11-20-14-8-4-5-9-15(14)21-13/h1-9,13H,10-11H2,(H2,17,18,19)
InChIKeyNOFGVQCWEYSNLM-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.65
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea (PubChem CID 4738249) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
PubChem CID4738249
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
SMILESO=C(NCC1COc2ccccc2O1)Nc1ccccc1
InChIInChI=1S/C16H16N2O3/c19-16(18-12-6-2-1-3-7-12)17-10-13-11-20-14-8-4-5-9-15(14)21-13/h1-9,13H,10-11H2,(H2,17,18,19)
InChIKeyNOFGVQCWEYSNLM-UHFFFAOYSA-N
XLogP2.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 108870211
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-pyridin-3-ylurea
CID 40954267
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875391
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-nitrophenyl)urea
CID 39972974
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-iodophenyl)urea
CID 108869065
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-thiophen-2-ylurea
CID 108889241
4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 2945038
1-benzamido-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]urea
CID 38169413
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-phenylethyl)urea
CID 51290930
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1,2-oxazol-5-yl)urea
CID 108814200
1-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 108896647
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-methoxyphenyl)urea
CID 51168449

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea (CID 4738249) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea is O=C(NCC1COc2ccccc2O1)Nc1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea?
The InChIKey is NOFGVQCWEYSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16(18-12-6-2-1-3-7-12)17-10-13-11-20-14-8-4-5-9-15(14)21-13/h1-9,13H,10-11H2,(H2,17,18,19).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea has a molecular weight of 284.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea is sourced from PubChem (CID 4738249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).