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

C18H22N2O — CID 58646099

IUPAC1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-13-7-5-6-8-16(13)20-17(21)19-15-11-9-14(10-12-15)18(2,3)4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyISBJTTLZYLMYFV-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.94
Rot. Bonds2

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

1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea (PubChem CID 58646099) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
PubChem CID58646099
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-13-7-5-6-8-16(13)20-17(21)19-15-11-9-14(10-12-15)18(2,3)4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyISBJTTLZYLMYFV-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-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
1-(4-tert-butylphenyl)-3-(2,6-dimethylphenyl)urea
CID 108884885
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
1-(2-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 97161924
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
2-chloro-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
CID 141036417
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea (CID 58646099) is 1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea?
The InChIKey is ISBJTTLZYLMYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-7-5-6-8-16(13)20-17(21)19-15-11-9-14(10-12-15)18(2,3)4/h5-12H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea?
1-(4-tert-butylphenyl)-3-(2-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-(4-tert-butylphenyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 58646099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).