1-cyclobutyl-3-(1-phenylpropyl)urea

C14H20N2O — CID 113233155

IUPAC1-cyclobutyl-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)NC1CCC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-2-13(11-7-4-3-5-8-11)16-14(17)15-12-9-6-10-12/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H2,15,16,17)
InChIKeyMZPUOBJBZKXWRX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.99
Rot. Bonds4

About 1-cyclobutyl-3-(1-phenylpropyl)urea

1-cyclobutyl-3-(1-phenylpropyl)urea (PubChem CID 113233155) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-phenylpropyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-phenylpropyl)urea
PubChem CID113233155
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-cyclobutyl-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)NC1CCC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-2-13(11-7-4-3-5-8-11)16-14(17)15-12-9-6-10-12/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H2,15,16,17)
InChIKeyMZPUOBJBZKXWRX-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111751211
1-cyclohexyl-3-(1-phenylpropyl)thiourea
CID 17281987
2-(cyclohexylamino)-N-(1-phenylpropyl)acetamide
CID 54816670
1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea
CID 92689614
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 110007137
N-cycloheptyl-2-phenylbutanamide
CID 2890971
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-phenylpropyl)urea?
The IUPAC name of 1-cyclobutyl-3-(1-phenylpropyl)urea (CID 113233155) is 1-cyclobutyl-3-(1-phenylpropyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(1-phenylpropyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(1-phenylpropyl)urea is CCC(NC(=O)NC1CCC1)c1ccccc1.
What is the InChIKey of 1-cyclobutyl-3-(1-phenylpropyl)urea?
The InChIKey is MZPUOBJBZKXWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-13(11-7-4-3-5-8-11)16-14(17)15-12-9-6-10-12/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclobutyl-3-(1-phenylpropyl)urea?
1-cyclobutyl-3-(1-phenylpropyl)urea has a molecular weight of 232.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-phenylpropyl)urea is sourced from PubChem (CID 113233155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).