1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea

C19H22N2O4 — CID 113216857

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O4/c1-19(2,13-4-9-16-17(12-13)25-11-10-24-16)21-18(22)20-14-5-7-15(23-3)8-6-14/h4-9,12H,10-11H2,1-3H3,(H2,20,21,22)
InChIKeyRAOOADQSLDIXPJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.52
Rot. Bonds4

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

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea (PubChem CID 113216857) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
PubChem CID113216857
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O4/c1-19(2,13-4-9-16-17(12-13)25-11-10-24-16)21-18(22)20-14-5-7-15(23-3)8-6-14/h4-9,12H,10-11H2,1-3H3,(H2,20,21,22)
InChIKeyRAOOADQSLDIXPJ-UHFFFAOYSA-N
XLogP3.52
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216884
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 113216373
1-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3-(4-fluorophenyl)urea
CID 47087353
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 113216860
1-(3-cyanophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216900
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-methoxyphenyl)guanidine
CID 111091065
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213671
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216506
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea (CID 113216857) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is RAOOADQSLDIXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,13-4-9-16-17(12-13)25-11-10-24-16)21-18(22)20-14-5-7-15(23-3)8-6-14/h4-9,12H,10-11H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 342.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 113216857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).