1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C14H22N2O2 — CID 111754283

IUPAC1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCc1cc(C)cc(NC(=O)NC(C)(C)CCO)c1
InChIInChI=1S/C14H22N2O2/c1-10-7-11(2)9-12(8-10)15-13(18)16-14(3,4)5-6-17/h7-9,17H,5-6H2,1-4H3,(H2,15,16,18)
InChIKeyLIAYMKQOCGIUFC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111754283) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111754283
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCc1cc(C)cc(NC(=O)NC(C)(C)CCO)c1
InChIInChI=1S/C14H22N2O2/c1-10-7-11(2)9-12(8-10)15-13(18)16-14(3,4)5-6-17/h7-9,17H,5-6H2,1-4H3,(H2,15,16,18)
InChIKeyLIAYMKQOCGIUFC-UHFFFAOYSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754526
1-tert-butyl-3-(3,5-dimethylphenyl)urea
CID 6469320
1-(4-tert-butylsulfanylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754830
4-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107576260
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
CID 111519668
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341
1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754626
1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea
CID 111926767
1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754138
1-(4-hydroxy-2-methylbutan-2-yl)-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 111926300
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926719
1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754895

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111754283) is 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is Cc1cc(C)cc(NC(=O)NC(C)(C)CCO)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is LIAYMKQOCGIUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-11(2)9-12(8-10)15-13(18)16-14(3,4)5-6-17/h7-9,17H,5-6H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 250.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111754283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).