2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide

C16H24N2O — CID 78909540

IUPAC2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O/c1-18(4-2-3-17)15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,2,4-11H2,1H3
InChIKeyVOPIIRYYKUZDHT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds4

About 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide

2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 78909540) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID78909540
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O/c1-18(4-2-3-17)15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,2,4-11H2,1H3
InChIKeyVOPIIRYYKUZDHT-UHFFFAOYSA-N
XLogP2.96
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-(2-bromoethyl)-N-methylacetamide
CID 80658944
2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid
CID 43169963
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8942936
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437234
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695284
N-(2-cyanoethyl)-N-methylcarbamoyl chloride
CID 54246845
2-[3-[2-(dimethylamino)-2-oxoethyl]-1-adamantyl]-N,N-dimethylacetamide
CID 2882420
3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-methylamino]propanoic acid
CID 119362474
2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide
CID 112772698
2-(1-adamantyl)-N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555837

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide (CID 78909540) is 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide is CN(CCC#N)C(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is VOPIIRYYKUZDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(4-2-3-17)15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,2,4-11H2,1H3.
What are the key properties of 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide?
2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 78909540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).