[2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate

C20H19NO5 — CID 10360704

IUPAC[2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(O)C(C)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C20H19NO5/c1-13(21(24)20(23)12-25-14(2)22)16-8-9-18-17(10-16)11-19(26-18)15-6-4-3-5-7-15/h3-11,13,24H,12H2,1-2H3
InChIKeyXWMCOEYQRSPVOG-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.94
Rot. Bonds5

About [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate

[2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate (PubChem CID 10360704) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate
PubChem CID10360704
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(O)C(C)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C20H19NO5/c1-13(21(24)20(23)12-25-14(2)22)16-8-9-18-17(10-16)11-19(26-18)15-6-4-3-5-7-15/h3-11,13,24H,12H2,1-2H3
InChIKeyXWMCOEYQRSPVOG-UHFFFAOYSA-N
XLogP3.94
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate (CID 10360704) is [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate is CC(=O)OCC(=O)N(O)C(C)c1ccc2oc(-c3ccccc3)cc2c1.
What is the InChIKey of [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate?
The InChIKey is XWMCOEYQRSPVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13(21(24)20(23)12-25-14(2)22)16-8-9-18-17(10-16)11-19(26-18)15-6-4-3-5-7-15/h3-11,13,24H,12H2,1-2H3.
What are the key properties of [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate?
[2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate has a molecular weight of 353.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl] acetate is sourced from PubChem (CID 10360704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).