1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea

C17H20N2O2 — CID 15675484

IUPAC1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea
SMILESCN(O)C(=O)NCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-19(21)17(20)18-13-5-6-14-9-11-16(12-10-14)15-7-3-2-4-8-15/h2-4,7-12,21H,5-6,13H2,1H3,(H,18,20)
InChIKeyHLOZWOHLMKWCJR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.32
Rot. Bonds5

About 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea

1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea (PubChem CID 15675484) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea
PubChem CID15675484
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea
SMILESCN(O)C(=O)NCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-19(21)17(20)18-13-5-6-14-9-11-16(12-10-14)15-7-3-2-4-8-15/h2-4,7-12,21H,5-6,13H2,1H3,(H,18,20)
InChIKeyHLOZWOHLMKWCJR-UHFFFAOYSA-N
XLogP3.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea?
The IUPAC name of 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea (CID 15675484) is 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea.
What is the SMILES notation for 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea?
The canonical SMILES for 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea is CN(O)C(=O)NCCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea?
The InChIKey is HLOZWOHLMKWCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(21)17(20)18-13-5-6-14-9-11-16(12-10-14)15-7-3-2-4-8-15/h2-4,7-12,21H,5-6,13H2,1H3,(H,18,20).
What are the key properties of 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea?
1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-methyl-3-[3-(4-phenylphenyl)propyl]urea is sourced from PubChem (CID 15675484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).