2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

C15H15N3O5 — CID 5401094

IUPAC2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O5/c1-2-11-5-6-14(13(8-11)18(20)21)23-10-15(19)17-16-9-12-4-3-7-22-12/h3-9H,2,10H2,1H3,(H,17,19)/b16-9-
InChIKeyXGAZZIVEFBJPHX-SXGWCWSVSA-N
MW317.30 g/mol
LogP2.28
Rot. Bonds7

About 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (PubChem CID 5401094) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
PubChem CID5401094
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O5/c1-2-11-5-6-14(13(8-11)18(20)21)23-10-15(19)17-16-9-12-4-3-7-22-12/h3-9H,2,10H2,1H3,(H,17,19)/b16-9-
InChIKeyXGAZZIVEFBJPHX-SXGWCWSVSA-N
XLogP2.28
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (CID 5401094) is 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is CCc1ccc(OCC(=O)N/N=C\c2ccco2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is XGAZZIVEFBJPHX-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-2-11-5-6-14(13(8-11)18(20)21)23-10-15(19)17-16-9-12-4-3-7-22-12/h3-9H,2,10H2,1H3,(H,17,19)/b16-9-.
What are the key properties of 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 317.30 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-nitrophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5401094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).