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

C20H24N2O3 — CID 113214268

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea
SMILESCc1ccc(C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H24N2O3/c1-14-4-6-15(7-5-14)20(2,3)13-21-19(23)22-16-8-9-17-18(12-16)25-11-10-24-17/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22,23)
InChIKeyJAAXTAUDIZVJBN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.87
Rot. Bonds4

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea (PubChem CID 113214268) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea
PubChem CID113214268
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea
SMILESCc1ccc(C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H24N2O3/c1-14-4-6-15(7-5-14)20(2,3)13-21-19(23)22-16-8-9-17-18(12-16)25-11-10-24-17/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22,23)
InChIKeyJAAXTAUDIZVJBN-UHFFFAOYSA-N
XLogP3.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213317
1-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213671
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(4-methylphenyl)propyl]propanamide
CID 86887892
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide
CID 110673536
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-methyl-4-(4-methylphenyl)pentanamide
CID 110407391
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 112972923
1-(1,3-benzodioxol-5-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216884
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methylphenyl)ethyl]urea
CID 87008854
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 113216373
1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea
CID 102256223
4-tert-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 113090593

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea (CID 113214268) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea is Cc1ccc(C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea?
The InChIKey is JAAXTAUDIZVJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-4-6-15(7-5-14)20(2,3)13-21-19(23)22-16-8-9-17-18(12-16)25-11-10-24-17/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea has a molecular weight of 340.42 g/mol, XLogP of 3.87, 4 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-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 113214268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).