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

C20H24N2O3 — CID 59802856

IUPACN-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESO=C1COc2ccc(CC(=O)NC34CC5CC(CC(C5)C3)C4)cc2N1
InChIInChI=1S/C20H24N2O3/c23-18(7-12-1-2-17-16(6-12)21-19(24)11-25-17)22-20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,6,13-15H,3-5,7-11H2,(H,21,24)(H,22,23)
InChIKeyPHZBNEJSDZLECL-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.64
Rot. Bonds3

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

N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 59802856) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID59802856
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESO=C1COc2ccc(CC(=O)NC34CC5CC(CC(C5)C3)C4)cc2N1
InChIInChI=1S/C20H24N2O3/c23-18(7-12-1-2-17-16(6-12)21-19(24)11-25-17)22-20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,6,13-15H,3-5,7-11H2,(H,21,24)(H,22,23)
InChIKeyPHZBNEJSDZLECL-UHFFFAOYSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802870
N-[(1R)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802886
6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 59802876
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771
N-[(3-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770256
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345
N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl chloride
CID 115194804

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 59802856) is N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is O=C1COc2ccc(CC(=O)NC34CC5CC(CC(C5)C3)C4)cc2N1.
What is the InChIKey of N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is PHZBNEJSDZLECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18(7-12-1-2-17-16(6-12)21-19(24)11-25-17)22-20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,6,13-15H,3-5,7-11H2,(H,21,24)(H,22,23).
What are the key properties of N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 59802856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).