1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea

C19H24N2O — CID 108884862

IUPAC1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2O/c1-13-10-14(2)12-17(11-13)21-18(22)20-16-8-6-15(7-9-16)19(3,4)5/h6-12H,1-5H3,(H2,20,21,22)
InChIKeyAMHHBKZWGPRFSZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.24
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea

1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea (PubChem CID 108884862) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
PubChem CID108884862
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2O/c1-13-10-14(2)12-17(11-13)21-18(22)20-16-8-6-15(7-9-16)19(3,4)5/h6-12H,1-5H3,(H2,20,21,22)
InChIKeyAMHHBKZWGPRFSZ-UHFFFAOYSA-N
XLogP5.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871893
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
CID 47385463
1-(4-tert-butylphenyl)-3-(2,6-dimethylphenyl)urea
CID 108884885
1-tert-butyl-3-(3,5-dimethylphenyl)urea
CID 6469320
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240
N-(3,5-dimethylphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198100

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea (CID 108884862) is 1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea?
The InChIKey is AMHHBKZWGPRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-10-14(2)12-17(11-13)21-18(22)20-16-8-6-15(7-9-16)19(3,4)5/h6-12H,1-5H3,(H2,20,21,22).
What are the key properties of 1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea?
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea has a molecular weight of 296.41 g/mol, XLogP of 5.24, 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-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 108884862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).