1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea

C17H20N2O3 — CID 10851772

IUPAC1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea
SMILESCC(c1ccc(OCCc2ccccc2)cc1)N(O)C(N)=O
InChIInChI=1S/C17H20N2O3/c1-13(19(21)17(18)20)15-7-9-16(10-8-15)22-12-11-14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3,(H2,18,20)
InChIKeyPDWMBDDSQGRELI-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.14
Rot. Bonds6

About 1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea

1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea (PubChem CID 10851772) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea
PubChem CID10851772
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea
SMILESCC(c1ccc(OCCc2ccccc2)cc1)N(O)C(N)=O
InChIInChI=1S/C17H20N2O3/c1-13(19(21)17(18)20)15-7-9-16(10-8-15)22-12-11-14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3,(H2,18,20)
InChIKeyPDWMBDDSQGRELI-UHFFFAOYSA-N
XLogP3.14
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-phenylethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea (CID 10851772) is 1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea is CC(c1ccc(OCCc2ccccc2)cc1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea?
The InChIKey is PDWMBDDSQGRELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(19(21)17(18)20)15-7-9-16(10-8-15)22-12-11-14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3,(H2,18,20).
What are the key properties of 1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea?
1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[4-(2-phenylethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 10851772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).