3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea

C15H20N2O3 — CID 51301770

IUPAC3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C15H20N2O3/c1-17(12-5-3-2-4-6-12)15(18)16-11-7-8-13-14(9-11)20-10-19-13/h7-9,12H,2-6,10H2,1H3,(H,16,18)
InChIKeyASCQYGRQMXAFHO-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.21
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea (PubChem CID 51301770) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
PubChem CID51301770
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C15H20N2O3/c1-17(12-5-3-2-4-6-12)15(18)16-11-7-8-13-14(9-11)20-10-19-13/h7-9,12H,2-6,10H2,1H3,(H,16,18)
InChIKeyASCQYGRQMXAFHO-UHFFFAOYSA-N
XLogP3.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 18127481
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
1-(1,3-benzodioxol-5-ylcarbamoyl)-1,3-dimethylurea
CID 12876416
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
CID 27869234
(E)-3-(1,3-benzodioxol-5-yl)-N-cycloheptyl-N-methylprop-2-enamide
CID 51287153
1-cyclohexyl-1-methyl-3-quinolin-7-ylurea
CID 69259812
3-(1,3-benzodioxol-5-yl)-1-butyl-1-methylurea
CID 47135837

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea (CID 51301770) is 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea is CN(C(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea?
The InChIKey is ASCQYGRQMXAFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(12-5-3-2-4-6-12)15(18)16-11-7-8-13-14(9-11)20-10-19-13/h7-9,12H,2-6,10H2,1H3,(H,16,18).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea?
3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea has a molecular weight of 276.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea is sourced from PubChem (CID 51301770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).