N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide

C18H26N2O5 — CID 108503965

IUPACN-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)N2CC(C)OC(C)C2)cc1OCC
InChIInChI=1S/C18H26N2O5/c1-5-23-15-8-7-14(9-16(15)24-6-2)19-17(21)18(22)20-10-12(3)25-13(4)11-20/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,19,21)
InChIKeyAYMRPQJLQIVIPU-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.06
Rot. Bonds5

About N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide

N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (PubChem CID 108503965) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
PubChem CID108503965
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)N2CC(C)OC(C)C2)cc1OCC
InChIInChI=1S/C18H26N2O5/c1-5-23-15-8-7-14(9-16(15)24-6-2)19-17(21)18(22)20-10-12(3)25-13(4)11-20/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,19,21)
InChIKeyAYMRPQJLQIVIPU-UHFFFAOYSA-N
XLogP2.06
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (CID 108503965) is N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is CCOc1ccc(NC(=O)C(=O)N2CC(C)OC(C)C2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The InChIKey is AYMRPQJLQIVIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-5-23-15-8-7-14(9-16(15)24-6-2)19-17(21)18(22)20-10-12(3)25-13(4)11-20/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,19,21).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide has a molecular weight of 350.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 108503965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).