1-cyclopropyl-3-(4-phenylbutyl)urea

C14H20N2O — CID 108887631

IUPAC1-cyclopropyl-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NC1CC1
InChIInChI=1S/C14H20N2O/c17-14(16-13-9-10-13)15-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H2,15,16,17)
InChIKeyJUZZJVVTCNHBCI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.47
Rot. Bonds6

About 1-cyclopropyl-3-(4-phenylbutyl)urea

1-cyclopropyl-3-(4-phenylbutyl)urea (PubChem CID 108887631) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-phenylbutyl)urea
PubChem CID108887631
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-cyclopropyl-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NC1CC1
InChIInChI=1S/C14H20N2O/c17-14(16-13-9-10-13)15-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H2,15,16,17)
InChIKeyJUZZJVVTCNHBCI-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(oxan-4-yl)-3-(4-phenylbutyl)urea
CID 118398503
1-(1-ethylsulfonylpiperidin-4-yl)-3-(4-phenylbutyl)urea
CID 36520658
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
1-[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]-3-(3-phenylpropyl)urea
CID 11640584
1-[(E)-2-cyclopropylethenyl]-3-(4-phenylbutyl)urea
CID 108916022
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(3-phenylpropyl)urea
CID 90634987
1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea
CID 75407560
1-(3-phenylpropyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47065812
8-phenyloctylcarbamic acid
CID 90271205
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-phenylbutyl)urea?
The IUPAC name of 1-cyclopropyl-3-(4-phenylbutyl)urea (CID 108887631) is 1-cyclopropyl-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(4-phenylbutyl)urea is O=C(NCCCCc1ccccc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-phenylbutyl)urea?
The InChIKey is JUZZJVVTCNHBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14(16-13-9-10-13)15-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-(4-phenylbutyl)urea?
1-cyclopropyl-3-(4-phenylbutyl)urea has a molecular weight of 232.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-phenylbutyl)urea is sourced from PubChem (CID 108887631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).