1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea

C18H18N2O4 — CID 113215721

IUPAC1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C18H18N2O4/c1-22-14-5-2-12(3-6-14)18(8-9-18)20-17(21)19-13-4-7-15-16(10-13)24-11-23-15/h2-7,10H,8-9,11H2,1H3,(H2,19,20,21)
InChIKeyUWOOYJPKWJUHIW-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.23
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea

1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (PubChem CID 113215721) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
PubChem CID113215721
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C18H18N2O4/c1-22-14-5-2-12(3-6-14)18(8-9-18)20-17(21)19-13-4-7-15-16(10-13)24-11-23-15/h2-7,10H,8-9,11H2,1H3,(H2,19,20,21)
InChIKeyUWOOYJPKWJUHIW-UHFFFAOYSA-N
XLogP3.23
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907811
1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215697
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215717
1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethoxyphenyl)urea
CID 17378931
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
1-(3-chloro-4-methoxyphenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216031
1-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213671
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (CID 113215721) is 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is COc1ccc(C2(NC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The InChIKey is UWOOYJPKWJUHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-14-5-2-12(3-6-14)18(8-9-18)20-17(21)19-13-4-7-15-16(10-13)24-11-23-15/h2-7,10H,8-9,11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea has a molecular weight of 326.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is sourced from PubChem (CID 113215721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).