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

C14H22N2O2 — CID 111754138

IUPAC1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCc1cccc(NC(=O)NC(C)(C)CCO)c1C
InChIInChI=1S/C14H22N2O2/c1-10-6-5-7-12(11(10)2)15-13(18)16-14(3,4)8-9-17/h5-7,17H,8-9H2,1-4H3,(H2,15,16,18)
InChIKeyRSPMXIBOWJUOBM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds4

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

1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111754138) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111754138
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCc1cccc(NC(=O)NC(C)(C)CCO)c1C
InChIInChI=1S/C14H22N2O2/c1-10-6-5-7-12(11(10)2)15-13(18)16-14(3,4)8-9-17/h5-7,17H,8-9H2,1-4H3,(H2,15,16,18)
InChIKeyRSPMXIBOWJUOBM-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

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Related Compounds

1-(4-hydroxy-2-methylbutan-2-yl)-3-(2-methylsulfanylphenyl)urea
CID 111925837
1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115968921
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
1-(4-hydroxy-2-methylbutan-2-yl)-3-(2-piperidin-1-ylphenyl)urea
CID 111754335
1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754283
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113356422
2-hydroxyethyl N-(2,3-dimethylphenyl)carbamate
CID 79345225

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111754138) is 1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is Cc1cccc(NC(=O)NC(C)(C)CCO)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is RSPMXIBOWJUOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-5-7-12(11(10)2)15-13(18)16-14(3,4)8-9-17/h5-7,17H,8-9H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(2,3-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-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111754138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).