1-(cyclobutylmethyl)-3-(4-propylphenyl)urea

C15H22N2O — CID 112824904

IUPAC1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)NCC2CCC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-4-12-7-9-14(10-8-12)17-15(18)16-11-13-5-3-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyXPFKXCGUQBLGIN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.56
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea

1-(cyclobutylmethyl)-3-(4-propylphenyl)urea (PubChem CID 112824904) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
PubChem CID112824904
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)NCC2CCC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-4-12-7-9-14(10-8-12)17-15(18)16-11-13-5-3-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyXPFKXCGUQBLGIN-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340644
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-(4-sulfanylphenyl)-3-[[3-[[(4-sulfanylphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43834026
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815927
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
1-(cyclopentylmethyl)-3-(4-nitrophenyl)urea
CID 46494092
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea (CID 112824904) is 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea is CCCc1ccc(NC(=O)NCC2CCC2)cc1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea?
The InChIKey is XPFKXCGUQBLGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-4-12-7-9-14(10-8-12)17-15(18)16-11-13-5-3-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea?
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(4-propylphenyl)urea is sourced from PubChem (CID 112824904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).