1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea

C18H22N2O2 — CID 111472820

IUPAC1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
SMILESCC(CCO)CNC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(11-12-21)13-19-18(22)20-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,21H,11-13H2,1H3,(H2,19,20,22)
InChIKeyPQRHPSYAPUQCDI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.49
Rot. Bonds6

About 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea

1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea (PubChem CID 111472820) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
PubChem CID111472820
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
SMILESCC(CCO)CNC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(11-12-21)13-19-18(22)20-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,21H,11-13H2,1H3,(H2,19,20,22)
InChIKeyPQRHPSYAPUQCDI-UHFFFAOYSA-N
XLogP3.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473009
1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 111503985
1-(4-hydroxy-2-methylbutyl)-3-[4-(3-methylbutoxy)phenyl]urea
CID 111521334
1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea
CID 111473777
1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111472557
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
CID 111490995
1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 97320276
1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473971
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea (CID 111472820) is 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea is CC(CCO)CNC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea?
The InChIKey is PQRHPSYAPUQCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(11-12-21)13-19-18(22)20-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,21H,11-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea?
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea is sourced from PubChem (CID 111472820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).