1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea

C18H22N2O2 — CID 111450235

IUPAC1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC(CCCO)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-5-10-16(13-14)19-18(22)20-17(11-6-12-21)15-8-3-2-4-9-15/h2-5,7-10,13,17,21H,6,11-12H2,1H3,(H2,19,20,22)
InChIKeyQOCRKXVSDNYABY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.63
Rot. Bonds6

About 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea

1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea (PubChem CID 111450235) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
PubChem CID111450235
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC(CCCO)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-5-10-16(13-14)19-18(22)20-17(11-6-12-21)15-8-3-2-4-9-15/h2-5,7-10,13,17,21H,6,11-12H2,1H3,(H2,19,20,22)
InChIKeyQOCRKXVSDNYABY-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453271
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(4-hydroxy-1-phenylbutyl)-3-(3-methyl-1,2-benzoxazol-6-yl)urea
CID 127267207
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
2-[(3-methylphenyl)carbamoylamino]-2-phenylacetamide
CID 17438270
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea (CID 111450235) is 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NC(CCCO)c2ccccc2)c1.
What is the InChIKey of 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea?
The InChIKey is QOCRKXVSDNYABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-7-5-10-16(13-14)19-18(22)20-17(11-6-12-21)15-8-3-2-4-9-15/h2-5,7-10,13,17,21H,6,11-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea?
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 111450235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).