1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone

C18H20N2O6 — CID 71848604

IUPAC1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone
SMILESO=C(CC1COCCN1CCOc1cccc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C18H20N2O6/c21-17(18-5-2-8-26-18)12-15-13-24-9-6-19(15)7-10-25-16-4-1-3-14(11-16)20(22)23/h1-5,8,11,15H,6-7,9-10,12-13H2
InChIKeyHHTGERKQWPLNIO-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.54
Rot. Bonds8

About 1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone

1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone (PubChem CID 71848604) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone
PubChem CID71848604
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone
SMILESO=C(CC1COCCN1CCOc1cccc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C18H20N2O6/c21-17(18-5-2-8-26-18)12-15-13-24-9-6-19(15)7-10-25-16-4-1-3-14(11-16)20(22)23/h1-5,8,11,15H,6-7,9-10,12-13H2
InChIKeyHHTGERKQWPLNIO-UHFFFAOYSA-N
XLogP2.54
TPSA95.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone (CID 71848604) is 1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone is O=C(CC1COCCN1CCOc1cccc([N+](=O)[O-])c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone?
The InChIKey is HHTGERKQWPLNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c21-17(18-5-2-8-26-18)12-15-13-24-9-6-19(15)7-10-25-16-4-1-3-14(11-16)20(22)23/h1-5,8,11,15H,6-7,9-10,12-13H2.
What are the key properties of 1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone?
1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone has a molecular weight of 360.37 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone is sourced from PubChem (CID 71848604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).