1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea

C17H16N2O3 — CID 19757406

IUPAC1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea
SMILESNC(=O)N(O)CCc1cccc2c(-c3ccccc3)coc12
InChIInChI=1S/C17H16N2O3/c18-17(20)19(21)10-9-13-7-4-8-14-15(11-22-16(13)14)12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H2,18,20)
InChIKeyTWZGLXDTZNGHBW-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.41
Rot. Bonds4

About 1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea

1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea (PubChem CID 19757406) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea
PubChem CID19757406
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea
SMILESNC(=O)N(O)CCc1cccc2c(-c3ccccc3)coc12
InChIInChI=1S/C17H16N2O3/c18-17(20)19(21)10-9-13-7-4-8-14-15(11-22-16(13)14)12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H2,18,20)
InChIKeyTWZGLXDTZNGHBW-UHFFFAOYSA-N
XLogP3.41
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.41
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-phenyl-1-benzofuran-7-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea (CID 19757406) is 1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea is NC(=O)N(O)CCc1cccc2c(-c3ccccc3)coc12.
What is the InChIKey of 1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea?
The InChIKey is TWZGLXDTZNGHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c18-17(20)19(21)10-9-13-7-4-8-14-15(11-22-16(13)14)12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H2,18,20).
What are the key properties of 1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea?
1-hydroxy-1-[2-(3-phenyl-1-benzofuran-7-yl)ethyl]urea has a molecular weight of 296.33 g/mol, XLogP of 3.41, 4 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-phenyl-1-benzofuran-7-yl)ethyl]urea is sourced from PubChem (CID 19757406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).