1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea

C17H18N2O3 — CID 19894247

IUPAC1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea
SMILESNC(=O)N(O)CC1CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c18-17(20)19(21)11-13-10-16(13)12-5-4-8-15(9-12)22-14-6-2-1-3-7-14/h1-9,13,16,21H,10-11H2,(H2,18,20)
InChIKeyAJDDOLKPLBPTIM-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.35
Rot. Bonds5

About 1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea

1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 19894247) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea
PubChem CID19894247
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea
SMILESNC(=O)N(O)CC1CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c18-17(20)19(21)11-13-10-16(13)12-5-4-8-15(9-12)22-14-6-2-1-3-7-14/h1-9,13,16,21H,10-11H2,(H2,18,20)
InChIKeyAJDDOLKPLBPTIM-UHFFFAOYSA-N
XLogP3.35
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.35
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-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea (CID 19894247) is 1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea is NC(=O)N(O)CC1CC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is AJDDOLKPLBPTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-17(20)19(21)11-13-10-16(13)12-5-4-8-15(9-12)22-14-6-2-1-3-7-14/h1-9,13,16,21H,10-11H2,(H2,18,20).
What are the key properties of 1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea?
1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea has a molecular weight of 298.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 19894247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).