2-(1-adamantyl)-N-oxidoacetamide

C12H18NO2- — CID 2050150

IUPAC2-(1-adamantyl)-N-oxidoacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N[O-]
InChIInChI=1S/C12H18NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H-,13,14,15)/q-1
InChIKeyGPLVCLPBHDVOID-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.21
Rot. Bonds2

About 2-(1-adamantyl)-N-oxidoacetamide

2-(1-adamantyl)-N-oxidoacetamide (PubChem CID 2050150) has the molecular formula C12H18NO2- and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-oxidoacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-oxidoacetamide
PubChem CID2050150
Molecular FormulaC12H18NO2-
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-(1-adamantyl)-N-oxidoacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N[O-]
InChIInChI=1S/C12H18NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H-,13,14,15)/q-1
InChIKeyGPLVCLPBHDVOID-UHFFFAOYSA-N
XLogP2.21
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.21
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

N,2-bis(1-adamantyl)acetamide
CID 3906383
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231
1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
CID 123564830
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
N'-[2-(1-adamantyl)acetyl]-2-cyclopentylacetohydrazide
CID 5021273
1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 131919775
methyl 2-[[2-(1-adamantyl)acetyl]amino]prop-2-enoate
CID 101073433
2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
CID 79673564
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-oxidoacetamide?
The IUPAC name of 2-(1-adamantyl)-N-oxidoacetamide (CID 2050150) is 2-(1-adamantyl)-N-oxidoacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-oxidoacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-oxidoacetamide is O=C(CC12CC3CC(CC(C3)C1)C2)N[O-].
What is the InChIKey of 2-(1-adamantyl)-N-oxidoacetamide?
The InChIKey is GPLVCLPBHDVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H-,13,14,15)/q-1.
What are the key properties of 2-(1-adamantyl)-N-oxidoacetamide?
2-(1-adamantyl)-N-oxidoacetamide has a molecular weight of 208.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-oxidoacetamide is sourced from PubChem (CID 2050150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).