2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C19H27N3O3 — CID 39061133

IUPAC2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CN2CC(=O)Oc3ccccc32)CC(C)(C)N1
InChIInChI=1S/C19H27N3O3/c1-18(2)9-13(10-19(3,4)21-18)20-16(23)11-22-12-17(24)25-15-8-6-5-7-14(15)22/h5-8,13,21H,9-12H2,1-4H3,(H,20,23)
InChIKeyIZCSRQOUGFBWEM-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.84
Rot. Bonds3

About 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 39061133) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID39061133
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CN2CC(=O)Oc3ccccc32)CC(C)(C)N1
InChIInChI=1S/C19H27N3O3/c1-18(2)9-13(10-19(3,4)21-18)20-16(23)11-22-12-17(24)25-15-8-6-5-7-14(15)22/h5-8,13,21H,9-12H2,1-4H3,(H,20,23)
InChIKeyIZCSRQOUGFBWEM-UHFFFAOYSA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 6592322
N-(5-methyl-2-pyridinyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39058986
N-(4-methylpiperazin-1-yl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061333
N-(4-fluorophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837565
N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837645
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 47019402
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 17413485
N-(3-hydroxypropyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061019
N-(4-iodophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837568
N-(4-bromophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837567
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 37032041
methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39058834

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 39061133) is 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)CN2CC(=O)Oc3ccccc32)CC(C)(C)N1.
What is the InChIKey of 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is IZCSRQOUGFBWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-18(2)9-13(10-19(3,4)21-18)20-16(23)11-22-12-17(24)25-15-8-6-5-7-14(15)22/h5-8,13,21H,9-12H2,1-4H3,(H,20,23).
What are the key properties of 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 39061133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).