2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid

C17H24N2O8 — CID 2935643

IUPAC2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cc(OCCN2CC(C)OC(C)C2)ccc1[N+](=O)[O-].O=C(O)C(=O)O
InChIInChI=1S/C15H22N2O4.C2H2O4/c1-11-8-14(4-5-15(11)17(18)19)20-7-6-16-9-12(2)21-13(3)10-16;3-1(4)2(5)6/h4-5,8,12-13H,6-7,9-10H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDQTYDGKRFUUSHQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.55
Rot. Bonds5

About 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid

2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid (PubChem CID 2935643) has the molecular formula C17H24N2O8 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid
PubChem CID2935643
Molecular FormulaC17H24N2O8
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cc(OCCN2CC(C)OC(C)C2)ccc1[N+](=O)[O-].O=C(O)C(=O)O
InChIInChI=1S/C15H22N2O4.C2H2O4/c1-11-8-14(4-5-15(11)17(18)19)20-7-6-16-9-12(2)21-13(3)10-16;3-1(4)2(5)6/h4-5,8,12-13H,6-7,9-10H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDQTYDGKRFUUSHQ-UHFFFAOYSA-N
XLogP1.55
TPSA139.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.55
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-[2-(3-Methyl-4-nitrophenoxy)ethyl]morpholine oxalate
CID 2922244
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
1-[3-(5-Methyl-2-nitrophenoxy)propyl]azepane oxalate
CID 2944396
1-[2-(3-Methyl-4-nitrophenoxy)ethyl]azepane oxalate
CID 2944570
1-[2-(5-Methyl-2-nitrophenoxy)ethyl]piperazine oxalate
CID 2944790

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid (CID 2935643) is 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid is Cc1cc(OCCN2CC(C)OC(C)C2)ccc1[N+](=O)[O-].O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is DQTYDGKRFUUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.C2H2O4/c1-11-8-14(4-5-15(11)17(18)19)20-7-6-16-9-12(2)21-13(3)10-16;3-1(4)2(5)6/h4-5,8,12-13H,6-7,9-10H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid?
2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 384.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2935643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).