N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide

C18H28N2O — CID 79989309

IUPACN-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NC(C)(C)C#N)(C3)C2
InChIInChI=1S/C18H28N2O/c1-15(2,12-19)20-14(21)8-18-7-13-5-16(3,10-18)9-17(4,6-13)11-18/h13H,5-11H2,1-4H3,(H,20,21)
InChIKeyJEIDYSOQYPEOMV-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.79
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide

N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide (PubChem CID 79989309) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide
PubChem CID79989309
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NC(C)(C)C#N)(C3)C2
InChIInChI=1S/C18H28N2O/c1-15(2,12-19)20-14(21)8-18-7-13-5-16(3,10-18)9-17(4,6-13)11-18/h13H,5-11H2,1-4H3,(H,20,21)
InChIKeyJEIDYSOQYPEOMV-UHFFFAOYSA-N
XLogP3.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
CID 79986924
2-[2-(3,5-dimethyl-1-adamantyl)acetyl]propanedinitrile
CID 79986230
2-(3,5-dimethyl-1-adamantyl)acetic acid
CID 4067589
1-(3,5-dimethyl-1-adamantyl)-3,3-difluorobutan-2-one
CID 58122773
2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide
CID 79986456
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide
CID 79988578
N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79988454
2-(3,5-dimethyl-1-adamantyl)-N-pent-1-yn-3-ylacetamide
CID 106228055
1-(3,5-dimethyl-1-adamantyl)-5,5,5-trifluoropentan-2-one
CID 114976593
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide
CID 79989463
N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79988209
2-cyano-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79998257

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide (CID 79989309) is N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide is CC12CC3CC(C)(C1)CC(CC(=O)NC(C)(C)C#N)(C3)C2.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
The InChIKey is JEIDYSOQYPEOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(2,12-19)20-14(21)8-18-7-13-5-16(3,10-18)9-17(4,6-13)11-18/h13H,5-11H2,1-4H3,(H,20,21).
What are the key properties of N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide has a molecular weight of 288.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide is sourced from PubChem (CID 79989309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).