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

C24H32F3N3O3 — CID 140542809

IUPACN-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide
SMILESN[C@H](Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CNC(=O)CC1CCOCC1
InChIInChI=1S/C24H32F3N3O3/c25-19-12-21(27)20(26)10-15(19)11-22(28)16-8-17-1-2-18(9-16)30(17)24(32)13-29-23(31)7-14-3-5-33-6-4-14/h10,12,14,16-18,22H,1-9,11,13,28H2,(H,29,31)/t16?,17?,18?,22-/m1/s1
InChIKeyKZYRLWZCURVKMK-HEGUNSDMSA-N
MW467.53 g/mol
LogP2.68
Rot. Bonds7

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

N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide (PubChem CID 140542809) has the molecular formula C24H32F3N3O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide
PubChem CID140542809
Molecular FormulaC24H32F3N3O3
Molecular Weight467.53 g/mol
Exact Mass467.24
IUPAC NameN-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide
SMILESN[C@H](Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CNC(=O)CC1CCOCC1
InChIInChI=1S/C24H32F3N3O3/c25-19-12-21(27)20(26)10-15(19)11-22(28)16-8-17-1-2-18(9-16)30(17)24(32)13-29-23(31)7-14-3-5-33-6-4-14/h10,12,14,16-18,22H,1-9,11,13,28H2,(H,29,31)/t16?,17?,18?,22-/m1/s1
InChIKeyKZYRLWZCURVKMK-HEGUNSDMSA-N
XLogP2.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

N-[2-[(5S)-3-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide
CID 143553671
N-[2-[(5S)-3-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]acetamide
CID 91464649
N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-phenylacetamide
CID 140542826
N-[2-[(1R,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-phenylpropanamide
CID 24799360
1-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(oxan-4-yl)butane-1,4-dione
CID 58137484
1-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 58137532
N-[2-[(1S,5S)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(1H-imidazol-5-yl)acetamide
CID 24799873
N-[2-[(1R,5S)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-phenylpropanamide;but-2-enedioic acid
CID 66940090
1-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-morpholin-4-ylsulfonylethanone
CID 24801097
N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-carboxamide;N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]morpholine-4-sulfonamide;3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-[2-(sulfamoylamino)acetyl]-8-azabicyclo[3.2.1]octane
CID 158110756
N-[3-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropyl]acetamide
CID 24799186
1-[3-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one
CID 143553604

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide (CID 140542809) is N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide is N[C@H](Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CNC(=O)CC1CCOCC1.
What is the InChIKey of N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is KZYRLWZCURVKMK-HEGUNSDMSA-N. The full InChI is InChI=1S/C24H32F3N3O3/c25-19-12-21(27)20(26)10-15(19)11-22(28)16-8-17-1-2-18(9-16)30(17)24(32)13-29-23(31)7-14-3-5-33-6-4-14/h10,12,14,16-18,22H,1-9,11,13,28H2,(H,29,31)/t16?,17?,18?,22-/m1/s1.
What are the key properties of N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide?
N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 467.53 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 140542809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).