1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea

C10H14N2O2 — CID 10655427

IUPAC1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)N(O)C(N)=O)cc1
InChIInChI=1S/C10H14N2O2/c1-7-3-5-9(6-4-7)8(2)12(14)10(11)13/h3-6,8,14H,1-2H3,(H2,11,13)
InChIKeyXCVNSBXGQHHVLM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.83
Rot. Bonds2

About 1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea

1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea (PubChem CID 10655427) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea
PubChem CID10655427
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)N(O)C(N)=O)cc1
InChIInChI=1S/C10H14N2O2/c1-7-3-5-9(6-4-7)8(2)12(14)10(11)13/h3-6,8,14H,1-2H3,(H2,11,13)
InChIKeyXCVNSBXGQHHVLM-UHFFFAOYSA-N
XLogP1.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.83
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-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea (CID 10655427) is 1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea is Cc1ccc(C(C)N(O)C(N)=O)cc1.
What is the InChIKey of 1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is XCVNSBXGQHHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-3-5-9(6-4-7)8(2)12(14)10(11)13/h3-6,8,14H,1-2H3,(H2,11,13).
What are the key properties of 1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea?
1-hydroxy-1-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 194.23 g/mol, XLogP of 1.83, 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-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 10655427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).