1-hydroxy-1-(1-phenylethyl)urea

C9H12N2O2 — CID 10375026

IUPAC1-hydroxy-1-(1-phenylethyl)urea
SMILESCC(c1ccccc1)N(O)C(N)=O
InChIInChI=1S/C9H12N2O2/c1-7(11(13)9(10)12)8-5-3-2-4-6-8/h2-7,13H,1H3,(H2,10,12)
InChIKeyLIXQVCKNGBFILF-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.52
Rot. Bonds2

About 1-hydroxy-1-(1-phenylethyl)urea

1-hydroxy-1-(1-phenylethyl)urea (PubChem CID 10375026) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-hydroxy-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-(1-phenylethyl)urea
PubChem CID10375026
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-hydroxy-1-(1-phenylethyl)urea
SMILESCC(c1ccccc1)N(O)C(N)=O
InChIInChI=1S/C9H12N2O2/c1-7(11(13)9(10)12)8-5-3-2-4-6-8/h2-7,13H,1H3,(H2,10,12)
InChIKeyLIXQVCKNGBFILF-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(1-phenylethyl)urea?
The IUPAC name of 1-hydroxy-1-(1-phenylethyl)urea (CID 10375026) is 1-hydroxy-1-(1-phenylethyl)urea.
What is the SMILES notation for 1-hydroxy-1-(1-phenylethyl)urea?
The canonical SMILES for 1-hydroxy-1-(1-phenylethyl)urea is CC(c1ccccc1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-(1-phenylethyl)urea?
The InChIKey is LIXQVCKNGBFILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(11(13)9(10)12)8-5-3-2-4-6-8/h2-7,13H,1H3,(H2,10,12).
What are the key properties of 1-hydroxy-1-(1-phenylethyl)urea?
1-hydroxy-1-(1-phenylethyl)urea has a molecular weight of 180.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(1-phenylethyl)urea is sourced from PubChem (CID 10375026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).