N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide

C16H24N2O — CID 80598331

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)C2CC3CCC2C3)C1
InChIInChI=1S/C16H24N2O/c1-10-7-16(8-10,9-17)15(19)18-11(2)14-6-12-3-4-13(14)5-12/h10-14H,3-8H2,1-2H3,(H,18,19)
InChIKeyLYZZBIDRQZHIEP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.87
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide (PubChem CID 80598331) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide
PubChem CID80598331
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC(C)C2CC3CCC2C3)C1
InChIInChI=1S/C16H24N2O/c1-10-7-16(8-10,9-17)15(19)18-11(2)14-6-12-3-4-13(14)5-12/h10-14H,3-8H2,1-2H3,(H,18,19)
InChIKeyLYZZBIDRQZHIEP-UHFFFAOYSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-cyanoacetamide
CID 98150839
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 98126823
(1R)-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2-dibromo-1-methylcyclopropane-1-carboxamide
CID 100705817
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 98219100
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
CID 104828325
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 129376603
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-carbamothioylcyclobutane-1-carboxamide
CID 80593373
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-N'-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 98271573

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide (CID 80598331) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NC(C)C2CC3CCC2C3)C1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide?
The InChIKey is LYZZBIDRQZHIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-7-16(8-10,9-17)15(19)18-11(2)14-6-12-3-4-13(14)5-12/h10-14H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80598331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).