1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea

C15H20N2O — CID 143698611

IUPAC1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea
SMILESC=C(C)c1ccc(C)c(NC(=O)NC2CCC2)c1
InChIInChI=1S/C15H20N2O/c1-10(2)12-8-7-11(3)14(9-12)17-15(18)16-13-5-4-6-13/h7-9,13H,1,4-6H2,2-3H3,(H2,16,17,18)
InChIKeyWJNNCXYZTKCWPF-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.70
Rot. Bonds3

About 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea

1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea (PubChem CID 143698611) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea
PubChem CID143698611
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea
SMILESC=C(C)c1ccc(C)c(NC(=O)NC2CCC2)c1
InChIInChI=1S/C15H20N2O/c1-10(2)12-8-7-11(3)14(9-12)17-15(18)16-13-5-4-6-13/h7-9,13H,1,4-6H2,2-3H3,(H2,16,17,18)
InChIKeyWJNNCXYZTKCWPF-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764
ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate
CID 100744542
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
1-(5-acetyl-2-methylphenyl)-3-(2,2-dimethyloxan-4-yl)urea
CID 143698513
4-chloro-3-(cyclobutylcarbamoylamino)benzoic acid
CID 62415793
N-cyclohexyl-4-methyl-3-(4-methylpenta-1,4-dien-2-ylcarbamothioylamino)benzamide
CID 143084232
3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
CID 62360558
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-4-methylbenzoic acid
CID 61182175
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]-4-methylbenzoic acid
CID 91646228
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
CID 116658389
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
4-methyl-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663220

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea (CID 143698611) is 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea is C=C(C)c1ccc(C)c(NC(=O)NC2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea?
The InChIKey is WJNNCXYZTKCWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)12-8-7-11(3)14(9-12)17-15(18)16-13-5-4-6-13/h7-9,13H,1,4-6H2,2-3H3,(H2,16,17,18).
What are the key properties of 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea?
1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea has a molecular weight of 244.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea is sourced from PubChem (CID 143698611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).