1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea

C20H24N2O3 — CID 113217482

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O3/c1-3-16-6-4-5-14(2)19(16)22-20(23)21-10-9-15-7-8-17-18(13-15)25-12-11-24-17/h4-8,13H,3,9-12H2,1-2H3,(H2,21,22,23)
InChIKeyGJSGEIOANSDEKA-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.69
Rot. Bonds5

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea (PubChem CID 113217482) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea
PubChem CID113217482
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O3/c1-3-16-6-4-5-14(2)19(16)22-20(23)21-10-9-15-7-8-17-18(13-15)25-12-11-24-17/h4-8,13H,3,9-12H2,1-2H3,(H2,21,22,23)
InChIKeyGJSGEIOANSDEKA-UHFFFAOYSA-N
XLogP3.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 113217395
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoylamino]benzoate
CID 113217513
1-(2-bromophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 113217527
1-(3-bromophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 113217528
N-[3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoylamino]phenyl]acetamide
CID 113217399
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-ethoxyphenyl)urea
CID 113217501
1-butan-2-yl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 47216305
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea (CID 113217482) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea is CCc1cccc(C)c1NC(=O)NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea?
The InChIKey is GJSGEIOANSDEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-16-6-4-5-14(2)19(16)22-20(23)21-10-9-15-7-8-17-18(13-15)25-12-11-24-17/h4-8,13H,3,9-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea has a molecular weight of 340.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethyl-6-methylphenyl)urea is sourced from PubChem (CID 113217482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).