[2-(2-methylbutan-2-yl)phenyl]urea

C12H18N2O — CID 155115241

IUPAC[2-(2-methylbutan-2-yl)phenyl]urea
SMILESCCC(C)(C)c1ccccc1NC(N)=O
InChIInChI=1S/C12H18N2O/c1-4-12(2,3)9-7-5-6-8-10(9)14-11(13)15/h5-8H,4H2,1-3H3,(H3,13,14,15)
InChIKeyWHYWLGKMXJOQFF-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.86
Rot. Bonds3

About [2-(2-methylbutan-2-yl)phenyl]urea

[2-(2-methylbutan-2-yl)phenyl]urea (PubChem CID 155115241) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [2-(2-methylbutan-2-yl)phenyl]urea.

Molecular Properties

Compound Name[2-(2-methylbutan-2-yl)phenyl]urea
PubChem CID155115241
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[2-(2-methylbutan-2-yl)phenyl]urea
SMILESCCC(C)(C)c1ccccc1NC(N)=O
InChIInChI=1S/C12H18N2O/c1-4-12(2,3)9-7-5-6-8-10(9)14-11(13)15/h5-8H,4H2,1-3H3,(H3,13,14,15)
InChIKeyWHYWLGKMXJOQFF-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(2-methylbutan-2-yl)phenyl]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

2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
N-(2-tert-butylphenyl)-N',N'-diethyloxamide
CID 47335864
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
CID 143578858
naphthalen-1-ylurea;hydrochloride
CID 141142203
(2-methylphenyl)urea;phosphane
CID 175888509
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-(2-bromoanilino)-2-methylbutanamide
CID 61006238
N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77034566
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
CID 143731245
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutan-2-yl)phenyl]urea?
The IUPAC name of [2-(2-methylbutan-2-yl)phenyl]urea (CID 155115241) is [2-(2-methylbutan-2-yl)phenyl]urea.
What is the SMILES notation for [2-(2-methylbutan-2-yl)phenyl]urea?
The canonical SMILES for [2-(2-methylbutan-2-yl)phenyl]urea is CCC(C)(C)c1ccccc1NC(N)=O.
What is the InChIKey of [2-(2-methylbutan-2-yl)phenyl]urea?
The InChIKey is WHYWLGKMXJOQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-12(2,3)9-7-5-6-8-10(9)14-11(13)15/h5-8H,4H2,1-3H3,(H3,13,14,15).
What are the key properties of [2-(2-methylbutan-2-yl)phenyl]urea?
[2-(2-methylbutan-2-yl)phenyl]urea has a molecular weight of 206.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutan-2-yl)phenyl]urea is sourced from PubChem (CID 155115241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).