1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea

C17H20N2O2 — CID 108867208

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
SMILESCC(C)(CO)NC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,12-20)19-16(21)18-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H2,18,19,21)
InChIKeyCHCMNKMXZLGIEP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.25
Rot. Bonds4

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea (PubChem CID 108867208) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
PubChem CID108867208
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
SMILESCC(C)(CO)NC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,12-20)19-16(21)18-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H2,18,19,21)
InChIKeyCHCMNKMXZLGIEP-UHFFFAOYSA-N
XLogP3.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894586
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60781787
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
CID 110410273
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea
CID 108886544
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
N-(4-phenylphenyl)acetamide
CID 19998
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894513
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea (CID 108867208) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea is CC(C)(CO)NC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea?
The InChIKey is CHCMNKMXZLGIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,12-20)19-16(21)18-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea is sourced from PubChem (CID 108867208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).