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

C16H22N2O8 — CID 2935609

IUPAC2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid
SMILESCC1CN(CCOc2ccccc2[N+](=O)[O-])CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C14H20N2O4.C2H2O4/c1-11-9-15(10-12(2)20-11)7-8-19-14-6-4-3-5-13(14)16(17)18;3-1(4)2(5)6/h3-6,11-12H,7-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGNLFLUTWRRQIQW-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.24
Rot. Bonds5

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

2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid (PubChem CID 2935609) has the molecular formula C16H22N2O8 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid
PubChem CID2935609
Molecular FormulaC16H22N2O8
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid
SMILESCC1CN(CCOc2ccccc2[N+](=O)[O-])CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C14H20N2O4.C2H2O4/c1-11-9-15(10-12(2)20-11)7-8-19-14-6-4-3-5-13(14)16(17)18;3-1(4)2(5)6/h3-6,11-12H,7-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGNLFLUTWRRQIQW-UHFFFAOYSA-N
XLogP1.24
TPSA139.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid (CID 2935609) is 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid is CC1CN(CCOc2ccccc2[N+](=O)[O-])CC(C)O1.O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is GNLFLUTWRRQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4.C2H2O4/c1-11-9-15(10-12(2)20-11)7-8-19-14-6-4-3-5-13(14)16(17)18;3-1(4)2(5)6/h3-6,11-12H,7-10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid?
2,6-dimethyl-4-[2-(2-nitrophenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 370.36 g/mol, XLogP of 1.24, 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-(2-nitrophenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2935609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).