2-(1-adamantyl)-N-cyanoacetamide

C13H18N2O — CID 79194231

IUPAC2-(1-adamantyl)-N-cyanoacetamide
SMILESN#CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H18N2O/c14-8-15-12(16)7-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-7H2,(H,15,16)
InChIKeyAURMPLZQRUGEQT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.19
Rot. Bonds2

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

2-(1-adamantyl)-N-cyanoacetamide (PubChem CID 79194231) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-cyanoacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-cyanoacetamide
PubChem CID79194231
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(1-adamantyl)-N-cyanoacetamide
SMILESN#CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H18N2O/c14-8-15-12(16)7-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-7H2,(H,15,16)
InChIKeyAURMPLZQRUGEQT-UHFFFAOYSA-N
XLogP2.19
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
N,2-bis(1-adamantyl)acetamide
CID 3906383
1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
CID 123564830
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
CID 79673564
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide
CID 7917946
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616
methyl 2-[[2-(1-adamantyl)acetyl]amino]prop-2-enoate
CID 101073433
1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 131919775

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-cyanoacetamide?
The IUPAC name of 2-(1-adamantyl)-N-cyanoacetamide (CID 79194231) is 2-(1-adamantyl)-N-cyanoacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-cyanoacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-cyanoacetamide is N#CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-cyanoacetamide?
The InChIKey is AURMPLZQRUGEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-8-15-12(16)7-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-7H2,(H,15,16).
What are the key properties of 2-(1-adamantyl)-N-cyanoacetamide?
2-(1-adamantyl)-N-cyanoacetamide has a molecular weight of 218.30 g/mol, XLogP of 2.19, 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-cyanoacetamide is sourced from PubChem (CID 79194231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).