1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea

C18H22N2O — CID 841120

IUPAC1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-13-9-11-14(12-10-13)19-17(21)20-16-8-6-5-7-15(16)18(2,3)4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyGXWQXEUAIXBAKU-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.94
Rot. Bonds2

About 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea

1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea (PubChem CID 841120) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
PubChem CID841120
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-13-9-11-14(12-10-13)19-17(21)20-16-8-6-5-7-15(16)18(2,3)4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyGXWQXEUAIXBAKU-UHFFFAOYSA-N
XLogP4.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967447
[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865660
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2976562
1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
CID 43508574
1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
CID 110491801
1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
CID 43437759
1-[(2-tert-butylphenyl)carbamothioyl]-3-[4-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]phenyl]urea
CID 89381980
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
3-[4-(2-tert-butylphenoxy)-3-[(4-methylphenyl)carbamoylamino]phenyl]benzoic acid
CID 121332661

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea (CID 841120) is 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea?
The InChIKey is GXWQXEUAIXBAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-9-11-14(12-10-13)19-17(21)20-16-8-6-5-7-15(16)18(2,3)4/h5-12H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea?
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea has a molecular weight of 282.39 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 841120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).