(4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C15H20N2O6 — CID 2873709

IUPAC(4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CC(C)OC(C)C2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H20N2O6/c1-9-7-16(8-10(2)23-9)15(18)11-5-13(21-3)14(22-4)6-12(11)17(19)20/h5-6,9-10H,7-8H2,1-4H3
InChIKeyDWSSNYADLJAVDO-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.86
Rot. Bonds4

About (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 2873709) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID2873709
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name(4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CC(C)OC(C)C2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H20N2O6/c1-9-7-16(8-10(2)23-9)15(18)11-5-13(21-3)14(22-4)6-12(11)17(19)20/h5-6,9-10H,7-8H2,1-4H3
InChIKeyDWSSNYADLJAVDO-UHFFFAOYSA-N
XLogP1.86
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 2873709) is (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is COc1cc(C(=O)N2CC(C)OC(C)C2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is DWSSNYADLJAVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-9-7-16(8-10(2)23-9)15(18)11-5-13(21-3)14(22-4)6-12(11)17(19)20/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 324.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 2873709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).