N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide

C17H26N2O — CID 47230622

IUPACN-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O/c1-16(2,11-18)15(20)19-4-3-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyWRWDEIGQXKUOFW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide

N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide (PubChem CID 47230622) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide
PubChem CID47230622
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O/c1-16(2,11-18)15(20)19-4-3-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyWRWDEIGQXKUOFW-UHFFFAOYSA-N
XLogP3.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide
CID 164616312
N-butyladamantane-1-carboxamide
CID 585486
N-(3,7-dimethyloctyl)adamantane-1-carboxamide
CID 162672826
N-(1-((3R,5R,7R)-Adamantan-1-yl)ethyl)acetamide
CID 2834342
N-(1-adamantylmethyl)acetamide
CID 2835982
3,5,7-trimethyl-N-propyl-1-adamantanecarboxamide
CID 2886178
N-(1-adamantylmethyl)-2,2-dimethylpropanamide
CID 4112017
N-(2-Adamantyl)-2-cyanoacetamide
CID 367267
N-[2-(1-Adamantyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 585417
N-[2-(diethylamino)ethyl]-1-adamantanecarboxamide
CID 212875

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide (CID 47230622) is N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide?
The InChIKey is WRWDEIGQXKUOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2,11-18)15(20)19-4-3-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,3-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide?
N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide is sourced from PubChem (CID 47230622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).