N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide

C20H26F3N3O2 — CID 24800051

IUPACN-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)C(=O)N1C2CCC1CC([C@H](N)Cc1cc(F)c(F)cc1F)C2
InChIInChI=1S/C20H26F3N3O2/c1-10(25-11(2)27)20(28)26-14-3-4-15(26)6-13(5-14)19(24)8-12-7-17(22)18(23)9-16(12)21/h7,9-10,13-15,19H,3-6,8,24H2,1-2H3,(H,25,27)/t10-,13?,14?,15?,19-/m1/s1
InChIKeyMVEWJBYIRCWLOZ-WGMGQZTQSA-N
MW397.44 g/mol
LogP2.27
Rot. Bonds5

About N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide

N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 24800051) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide
PubChem CID24800051
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC NameN-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)C(=O)N1C2CCC1CC([C@H](N)Cc1cc(F)c(F)cc1F)C2
InChIInChI=1S/C20H26F3N3O2/c1-10(25-11(2)27)20(28)26-14-3-4-15(26)6-13(5-14)19(24)8-12-7-17(22)18(23)9-16(12)21/h7,9-10,13-15,19H,3-6,8,24H2,1-2H3,(H,25,27)/t10-,13?,14?,15?,19-/m1/s1
InChIKeyMVEWJBYIRCWLOZ-WGMGQZTQSA-N
XLogP2.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide (CID 24800051) is N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](C)C(=O)N1C2CCC1CC([C@H](N)Cc1cc(F)c(F)cc1F)C2.
What is the InChIKey of N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is MVEWJBYIRCWLOZ-WGMGQZTQSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-10(25-11(2)27)20(28)26-14-3-4-15(26)6-13(5-14)19(24)8-12-7-17(22)18(23)9-16(12)21/h7,9-10,13-15,19H,3-6,8,24H2,1-2H3,(H,25,27)/t10-,13?,14?,15?,19-/m1/s1.
What are the key properties of N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 397.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 24800051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).