[4-(4-tert-butylphenyl)phenyl]urea

C17H20N2O — CID 11659042

IUPAC[4-(4-tert-butylphenyl)phenyl]urea
SMILESCC(C)(C)c1ccc(-c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)19-16(18)20/h4-11H,1-3H3,(H3,18,19,20)
InChIKeyCQQWFWURFCAFPP-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.14
Rot. Bonds2

About [4-(4-tert-butylphenyl)phenyl]urea

[4-(4-tert-butylphenyl)phenyl]urea (PubChem CID 11659042) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)phenyl]urea.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)phenyl]urea
PubChem CID11659042
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[4-(4-tert-butylphenyl)phenyl]urea
SMILESCC(C)(C)c1ccc(-c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)19-16(18)20/h4-11H,1-3H3,(H3,18,19,20)
InChIKeyCQQWFWURFCAFPP-UHFFFAOYSA-N
XLogP4.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)phenyl]urea?
The IUPAC name of [4-(4-tert-butylphenyl)phenyl]urea (CID 11659042) is [4-(4-tert-butylphenyl)phenyl]urea.
What is the SMILES notation for [4-(4-tert-butylphenyl)phenyl]urea?
The canonical SMILES for [4-(4-tert-butylphenyl)phenyl]urea is CC(C)(C)c1ccc(-c2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of [4-(4-tert-butylphenyl)phenyl]urea?
The InChIKey is CQQWFWURFCAFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)19-16(18)20/h4-11H,1-3H3,(H3,18,19,20).
What are the key properties of [4-(4-tert-butylphenyl)phenyl]urea?
[4-(4-tert-butylphenyl)phenyl]urea has a molecular weight of 268.36 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)phenyl]urea is sourced from PubChem (CID 11659042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).