4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid

C15H20N2O8 — CID 2922244

IUPAC4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cc(OCCN2CCOCC2)ccc1[N+](=O)[O-].O=C(O)C(=O)O
InChIInChI=1S/C13H18N2O4.C2H2O4/c1-11-10-12(2-3-13(11)15(16)17)19-9-6-14-4-7-18-8-5-14;3-1(4)2(5)6/h2-3,10H,4-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyLDXWGYRIWSAXMI-UHFFFAOYSA-N
MW356.33 g/mol
LogP0.77
Rot. Bonds5

About 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid

4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid (PubChem CID 2922244) has the molecular formula C15H20N2O8 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid
PubChem CID2922244
Molecular FormulaC15H20N2O8
Molecular Weight356.33 g/mol
Exact Mass356.12
IUPAC Name4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cc(OCCN2CCOCC2)ccc1[N+](=O)[O-].O=C(O)C(=O)O
InChIInChI=1S/C13H18N2O4.C2H2O4/c1-11-10-12(2-3-13(11)15(16)17)19-9-6-14-4-7-18-8-5-14;3-1(4)2(5)6/h2-3,10H,4-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyLDXWGYRIWSAXMI-UHFFFAOYSA-N
XLogP0.77
TPSA139.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
3-Methyl-1-[3-(4-nitrophenoxy)propyl]piperidine oxalate
CID 2934328
4-Methyl-1-[4-(2-nitrophenoxy)butyl]piperidine oxalate
CID 2888587
4-[3-(4-Methyl-2-nitrophenoxy)propyl]morpholine oxalate
CID 2922754
1-[2-(3-Methyl-4-nitrophenoxy)ethyl]pyrrolidine oxalate
CID 2922937
1-{2-[2-(4-Methyl-2-nitrophenoxy)ethoxy]ethyl}piperidine oxalate
CID 2923378
3-Methyl-1-[4-(4-methyl-2-nitrophenoxy)butyl]piperidine oxalate
CID 2935523
2,6-Dimethyl-4-[3-(2-nitrophenoxy)propyl]morpholine oxalate
CID 2935633
2,6-Dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine oxalate
CID 2935643
1-[2-(4-Methyl-2-nitrophenoxy)ethyl]piperazine oxalate
CID 2944142
1-[3-(5-Methyl-2-nitrophenoxy)propyl]azepane oxalate
CID 2944396
1-[2-(3-Methyl-4-nitrophenoxy)ethyl]azepane oxalate
CID 2944570

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid (CID 2922244) is 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid is Cc1cc(OCCN2CCOCC2)ccc1[N+](=O)[O-].O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is LDXWGYRIWSAXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4.C2H2O4/c1-11-10-12(2-3-13(11)15(16)17)19-9-6-14-4-7-18-8-5-14;3-1(4)2(5)6/h2-3,10H,4-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid?
4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 356.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2922244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).