1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea

C13H18N2O2 — CID 115617939

IUPAC1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCC2)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-8-11(6-7-12(9)17-2)15-13(16)14-10-4-3-5-10/h6-8,10H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyZIKOWNYDQNMIEG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.68
Rot. Bonds3

About 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea

1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea (PubChem CID 115617939) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
PubChem CID115617939
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCC2)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-8-11(6-7-12(9)17-2)15-13(16)14-10-4-3-5-10/h6-8,10H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyZIKOWNYDQNMIEG-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea
CID 116658847
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983941
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
2-(cyclopropylamino)-N-(4-methoxy-3-methylphenyl)acetamide
CID 54964531
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea?
The IUPAC name of 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea (CID 115617939) is 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea is COc1ccc(NC(=O)NC2CCC2)cc1C.
What is the InChIKey of 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea?
The InChIKey is ZIKOWNYDQNMIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-11(6-7-12(9)17-2)15-13(16)14-10-4-3-5-10/h6-8,10H,3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea?
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea has a molecular weight of 234.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea is sourced from PubChem (CID 115617939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).