N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide

C19H28N2O4 — CID 108519859

IUPACN-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)N2CCCCC2CC)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-4-15-9-7-8-12-21(15)19(23)18(22)20-14-10-11-16(24-5-2)17(13-14)25-6-3/h10-11,13,15H,4-9,12H2,1-3H3,(H,20,22)
InChIKeyDACGZLUFCBIEJK-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.21
Rot. Bonds6

About N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide

N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108519859) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108519859
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)N2CCCCC2CC)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-4-15-9-7-8-12-21(15)19(23)18(22)20-14-10-11-16(24-5-2)17(13-14)25-6-3/h10-11,13,15H,4-9,12H2,1-3H3,(H,20,22)
InChIKeyDACGZLUFCBIEJK-UHFFFAOYSA-N
XLogP3.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500088
N-(4-anilinophenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108523479
2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513142
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108511917
2-(2-ethylpiperidin-1-yl)-2-oxo-N-pyrimidin-2-ylacetamide
CID 108520691
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 55316250
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503965
2-[2-ethoxy-4-(2-ethylpiperidine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 112760204
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide (CID 108519859) is N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide is CCOc1ccc(NC(=O)C(=O)N2CCCCC2CC)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is DACGZLUFCBIEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-15-9-7-8-12-21(15)19(23)18(22)20-14-10-11-16(24-5-2)17(13-14)25-6-3/h10-11,13,15H,4-9,12H2,1-3H3,(H,20,22).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 348.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108519859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).