2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide

C20H31N3O4 — CID 108522545

IUPAC2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide
SMILESCOc1ccc(OCCNC(=O)C(=O)N2C(C)(C)CC(N)CC2(C)C)cc1
InChIInChI=1S/C20H31N3O4/c1-19(2)12-14(21)13-20(3,4)23(19)18(25)17(24)22-10-11-27-16-8-6-15(26-5)7-9-16/h6-9,14H,10-13,21H2,1-5H3,(H,22,24)
InChIKeyNGRDMMSDPPDJMJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.70
Rot. Bonds5

About 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide

2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide (PubChem CID 108522545) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide
PubChem CID108522545
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide
SMILESCOc1ccc(OCCNC(=O)C(=O)N2C(C)(C)CC(N)CC2(C)C)cc1
InChIInChI=1S/C20H31N3O4/c1-19(2)12-14(21)13-20(3,4)23(19)18(25)17(24)22-10-11-27-16-8-6-15(26-5)7-9-16/h6-9,14H,10-13,21H2,1-5H3,(H,22,24)
InChIKeyNGRDMMSDPPDJMJ-UHFFFAOYSA-N
XLogP1.70
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521116
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-[2-(4-methoxyphenoxy)ethyl]-N'-prop-2-enyloxamide
CID 108526449
ethyl 4-[[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531181
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
CID 115040738

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide (CID 108522545) is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide is COc1ccc(OCCNC(=O)C(=O)N2C(C)(C)CC(N)CC2(C)C)cc1.
What is the InChIKey of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide?
The InChIKey is NGRDMMSDPPDJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-19(2)12-14(21)13-20(3,4)23(19)18(25)17(24)22-10-11-27-16-8-6-15(26-5)7-9-16/h6-9,14H,10-13,21H2,1-5H3,(H,22,24).
What are the key properties of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide?
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide has a molecular weight of 377.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide is sourced from PubChem (CID 108522545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).