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

C20H30N2O5 — CID 108504049

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCCOc1ccc(CCNC(=O)C(=O)N2CC(C)OC(C)C2)cc1OCC
InChIInChI=1S/C20H30N2O5/c1-5-25-17-8-7-16(11-18(17)26-6-2)9-10-21-19(23)20(24)22-12-14(3)27-15(4)13-22/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,21,23)
InChIKeyGUHJSUXSXSQNDM-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.78
Rot. Bonds7

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (PubChem CID 108504049) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
PubChem CID108504049
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCCOc1ccc(CCNC(=O)C(=O)N2CC(C)OC(C)C2)cc1OCC
InChIInChI=1S/C20H30N2O5/c1-5-25-17-8-7-16(11-18(17)26-6-2)9-10-21-19(23)20(24)22-12-14(3)27-15(4)13-22/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,21,23)
InChIKeyGUHJSUXSXSQNDM-UHFFFAOYSA-N
XLogP1.78
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517275
N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503965
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519171
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32560217
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (CID 108504049) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is CCOc1ccc(CCNC(=O)C(=O)N2CC(C)OC(C)C2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The InChIKey is GUHJSUXSXSQNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-5-25-17-8-7-16(11-18(17)26-6-2)9-10-21-19(23)20(24)22-12-14(3)27-15(4)13-22/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide has a molecular weight of 378.47 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 108504049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).