2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C17H25N3O4 — CID 977949

IUPAC2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1
InChIInChI=1S/C17H25N3O4/c1-16(2)9-12(10-17(3,4)19-16)18-15(21)11-24-14-7-5-13(6-8-14)20(22)23/h5-8,12,19H,9-11H2,1-4H3,(H,18,21)
InChIKeyDKIAYPJNIYAQBZ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.40
Rot. Bonds5

About 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 977949) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID977949
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1
InChIInChI=1S/C17H25N3O4/c1-16(2)9-12(10-17(3,4)19-16)18-15(21)11-24-14-7-5-13(6-8-14)20(22)23/h5-8,12,19H,9-11H2,1-4H3,(H,18,21)
InChIKeyDKIAYPJNIYAQBZ-UHFFFAOYSA-N
XLogP2.40
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
N-[1-(4-chlorophenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 60356606
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 977997
N-Isobutyl-2-(2-nitrophenoxy)acetamide
CID 2500401
2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 2792230
2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 2994786
N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 11111531
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 16322675
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 39963511

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 977949) is 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is DKIAYPJNIYAQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-16(2)9-12(10-17(3,4)19-16)18-15(21)11-24-14-7-5-13(6-8-14)20(22)23/h5-8,12,19H,9-11H2,1-4H3,(H,18,21).
What are the key properties of 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 977949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).