N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide

C17H23F3N2O2 — CID 138690598

IUPACN-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide
SMILESCC(C)(CC12CC(NC(=O)C(F)(F)F)(C1)C2)C(=O)NC12CC(C1)C2
InChIInChI=1S/C17H23F3N2O2/c1-13(2,11(23)21-15-3-10(4-15)5-15)6-14-7-16(8-14,9-14)22-12(24)17(18,19)20/h10H,3-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYFHJISCJNROBRK-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.67
Rot. Bonds5

About N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide

N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide (PubChem CID 138690598) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide
PubChem CID138690598
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide
SMILESCC(C)(CC12CC(NC(=O)C(F)(F)F)(C1)C2)C(=O)NC12CC(C1)C2
InChIInChI=1S/C17H23F3N2O2/c1-13(2,11(23)21-15-3-10(4-15)5-15)6-14-7-16(8-14,9-14)22-12(24)17(18,19)20/h10H,3-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYFHJISCJNROBRK-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide with MolForge

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Related Compounds

N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide
CID 102055809
N-(3,5-dicyano-1-adamantyl)-2-fluoro-2-methylbutanamide
CID 21063654
2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide
CID 21063620
2-cyano-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79998257
methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate
CID 162499133
N-(1-adamantyl)-2-methoxy-2-methylpropanamide
CID 12839089
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
N-(1-ethylcyclobutyl)-2,2,2-trifluoroacetamide
CID 115673150
N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide
CID 129295001
4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297911
N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide
CID 21063661
[1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 101333972

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide (CID 138690598) is N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide is CC(C)(CC12CC(NC(=O)C(F)(F)F)(C1)C2)C(=O)NC12CC(C1)C2.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide?
The InChIKey is YFHJISCJNROBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-13(2,11(23)21-15-3-10(4-15)5-15)6-14-7-16(8-14,9-14)22-12(24)17(18,19)20/h10H,3-9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide?
N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide is sourced from PubChem (CID 138690598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).