1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea

C13H20N2O2 — CID 113342009

IUPAC1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)(C)C(C)O)cc1
InChIInChI=1S/C13H20N2O2/c1-9-5-7-11(8-6-9)14-12(17)15-13(3,4)10(2)16/h5-8,10,16H,1-4H3,(H2,14,15,17)
InChIKeyGZXVWJVFAPVOIY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.28
Rot. Bonds3

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

1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea (PubChem CID 113342009) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea
PubChem CID113342009
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)(C)C(C)O)cc1
InChIInChI=1S/C13H20N2O2/c1-9-5-7-11(8-6-9)14-12(17)15-13(3,4)10(2)16/h5-8,10,16H,1-4H3,(H2,14,15,17)
InChIKeyGZXVWJVFAPVOIY-UHFFFAOYSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea
CID 113342006
1-(4-methylphenyl)-3-propan-2-yloxyurea
CID 5118851
(2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid
CID 100730155
N-tert-butyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 17432752
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
N-(4-methylphenyl)acetamide
CID 7684
1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
CID 43508574
1-(3-cyanopentan-3-yl)-3-(4-methylphenyl)urea
CID 61122433
2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957263
1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
CID 110410273
trimethyl-[(4-methylphenyl)carbamoylamino]azanium
CID 134109961

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea (CID 113342009) is 1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC(C)(C)C(C)O)cc1.
What is the InChIKey of 1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea?
The InChIKey is GZXVWJVFAPVOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-7-11(8-6-9)14-12(17)15-13(3,4)10(2)16/h5-8,10,16H,1-4H3,(H2,14,15,17).
What are the key properties of 1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea?
1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea has a molecular weight of 236.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 113342009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).