N-(1-adamantyloxy)acetamide

C12H19NO2 — CID 87737951

IUPACN-(1-adamantyloxy)acetamide
SMILESCC(=O)NOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO2/c1-8(14)13-15-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)
InChIKeyMERQAIHJORIKJL-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.02
Rot. Bonds2

About N-(1-adamantyloxy)acetamide

N-(1-adamantyloxy)acetamide (PubChem CID 87737951) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-adamantyloxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyloxy)acetamide
PubChem CID87737951
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(1-adamantyloxy)acetamide
SMILESCC(=O)NOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO2/c1-8(14)13-15-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)
InChIKeyMERQAIHJORIKJL-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;1-adamantyl acetate;hydride
CID 174617949
1-adamantyl amino carbonate
CID 69008372
bis(1-adamantyl) 2,4-dimethyl-3-oxopentanedioate
CID 10972269
N-(1-adamantyloxy)formamide
CID 54075706
4-(1-adamantyloxy)butyl acetate
CID 134839652
1-adamantyl 2,2-difluoroacetate
CID 58225853
N'-(1-adamantyl)acetohydrazide
CID 57252172
sodium 1-adamantyloxy(methoxycarbonyl)phosphinate
CID 23699004
N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide
CID 10868753
bis(1-adamantyl) 3-oxopentanedioate
CID 101111352
1-adamantyl 4-hydroxy-2-methylpent-2-enoate
CID 174796752
(3-methoxy-1-adamantyl)methyl acetate
CID 118908215

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyloxy)acetamide?
The IUPAC name of N-(1-adamantyloxy)acetamide (CID 87737951) is N-(1-adamantyloxy)acetamide.
What is the SMILES notation for N-(1-adamantyloxy)acetamide?
The canonical SMILES for N-(1-adamantyloxy)acetamide is CC(=O)NOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyloxy)acetamide?
The InChIKey is MERQAIHJORIKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(14)13-15-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(1-adamantyloxy)acetamide?
N-(1-adamantyloxy)acetamide has a molecular weight of 209.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyloxy)acetamide is sourced from PubChem (CID 87737951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).