1-(4-tert-butylphenyl)-3-cyclopropylurea

C14H20N2O — CID 47127423

IUPAC1-(4-tert-butylphenyl)-3-cyclopropylurea
SMILESCC(C)(C)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O/c1-14(2,3)10-4-6-11(7-5-10)15-13(17)16-12-8-9-12/h4-7,12H,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyWTWZQCQFFYETHI-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.27
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3-cyclopropylurea

1-(4-tert-butylphenyl)-3-cyclopropylurea (PubChem CID 47127423) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-cyclopropylurea
PubChem CID47127423
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(4-tert-butylphenyl)-3-cyclopropylurea
SMILESCC(C)(C)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O/c1-14(2,3)10-4-6-11(7-5-10)15-13(17)16-12-8-9-12/h4-7,12H,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyWTWZQCQFFYETHI-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
CID 55532868
1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea
CID 62700602
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-(4-tert-butylphenyl)-3-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]urea
CID 90633974
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea
CID 110706706
1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 68609241
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
methyl 4-[(4-tert-butylcyclohexyl)carbamoylamino]benzoate
CID 17217886

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-cyclopropylurea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-cyclopropylurea (CID 47127423) is 1-(4-tert-butylphenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-cyclopropylurea is CC(C)(C)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-cyclopropylurea?
The InChIKey is WTWZQCQFFYETHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,3)10-4-6-11(7-5-10)15-13(17)16-12-8-9-12/h4-7,12H,8-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(4-tert-butylphenyl)-3-cyclopropylurea?
1-(4-tert-butylphenyl)-3-cyclopropylurea has a molecular weight of 232.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-cyclopropylurea is sourced from PubChem (CID 47127423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).