N-(4-hydroxyimino-1-adamantyl)acetamide

C12H18N2O2 — CID 44827873

IUPACN-(4-hydroxyimino-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)C(=NO)C(C3)C2
InChIInChI=1S/C12H18N2O2/c1-7(15)13-12-4-8-2-9(5-12)11(14-16)10(3-8)6-12/h8-10,16H,2-6H2,1H3,(H,13,15)/b14-11-
InChIKeyAGLSQIHENCAJLE-KAMYIIQDSA-N
MW222.29 g/mol
LogP1.53
Rot. Bonds1

About N-(4-hydroxyimino-1-adamantyl)acetamide

N-(4-hydroxyimino-1-adamantyl)acetamide (PubChem CID 44827873) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-hydroxyimino-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxyimino-1-adamantyl)acetamide
PubChem CID44827873
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(4-hydroxyimino-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)C(=NO)C(C3)C2
InChIInChI=1S/C12H18N2O2/c1-7(15)13-12-4-8-2-9(5-12)11(14-16)10(3-8)6-12/h8-10,16H,2-6H2,1H3,(H,13,15)/b14-11-
InChIKeyAGLSQIHENCAJLE-KAMYIIQDSA-N
XLogP1.53
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyimino-1-adamantyl)acetamide?
The IUPAC name of N-(4-hydroxyimino-1-adamantyl)acetamide (CID 44827873) is N-(4-hydroxyimino-1-adamantyl)acetamide.
What is the SMILES notation for N-(4-hydroxyimino-1-adamantyl)acetamide?
The canonical SMILES for N-(4-hydroxyimino-1-adamantyl)acetamide is CC(=O)NC12CC3CC(C1)C(=NO)C(C3)C2.
What is the InChIKey of N-(4-hydroxyimino-1-adamantyl)acetamide?
The InChIKey is AGLSQIHENCAJLE-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7(15)13-12-4-8-2-9(5-12)11(14-16)10(3-8)6-12/h8-10,16H,2-6H2,1H3,(H,13,15)/b14-11-.
What are the key properties of N-(4-hydroxyimino-1-adamantyl)acetamide?
N-(4-hydroxyimino-1-adamantyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyimino-1-adamantyl)acetamide is sourced from PubChem (CID 44827873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).