N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid

C21H28F4N2O5 — CID 155825773

IUPACN-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27FN2O3.C2HF3O2/c1-24-13-18(23)21-11-17-3-2-8-19(25-17)9-10-22(14-19)12-15-4-6-16(20)7-5-15;3-2(4,5)1(6)7/h4-7,17H,2-3,8-14H2,1H3,(H,21,23);(H,6,7)/t17-,19+;/m0./s1
InChIKeyQLXLRQYRIDQNQJ-JUOYHRLASA-N
MW464.46 g/mol
LogP2.74
Rot. Bonds6

About N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid

N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155825773) has the molecular formula C21H28F4N2O5 and a molecular weight of 464.46 g/mol. Its IUPAC name is N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
PubChem CID155825773
Molecular FormulaC21H28F4N2O5
Molecular Weight464.46 g/mol
Exact Mass464.19
IUPAC NameN-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27FN2O3.C2HF3O2/c1-24-13-18(23)21-11-17-3-2-8-19(25-17)9-10-22(14-19)12-15-4-6-16(20)7-5-15;3-2(4,5)1(6)7/h4-7,17H,2-3,8-14H2,1H3,(H,21,23);(H,6,7)/t17-,19+;/m0./s1
InChIKeyQLXLRQYRIDQNQJ-JUOYHRLASA-N
XLogP2.74
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid (CID 155825773) is N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid is COCC(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is QLXLRQYRIDQNQJ-JUOYHRLASA-N. The full InChI is InChI=1S/C19H27FN2O3.C2HF3O2/c1-24-13-18(23)21-11-17-3-2-8-19(25-17)9-10-22(14-19)12-15-4-6-16(20)7-5-15;3-2(4,5)1(6)7/h4-7,17H,2-3,8-14H2,1H3,(H,21,23);(H,6,7)/t17-,19+;/m0./s1.
What are the key properties of N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 464.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7S)-2-[(4-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).