2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid

C22H31F3N2O5 — CID 155832849

IUPAC2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NC1COCCC12CCN(CCc1ccccc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H30N2O3.C2HF3O2/c1-24-16-19(23)21-18-15-25-14-10-20(18)8-12-22(13-9-20)11-7-17-5-3-2-4-6-17;3-2(4,5)1(6)7/h2-6,18H,7-16H2,1H3,(H,21,23);(H,6,7)
InChIKeyUEYUGPGZBHMFEC-UHFFFAOYSA-N
MW460.49 g/mol
LogP2.50
Rot. Bonds6

About 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid

2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155832849) has the molecular formula C22H31F3N2O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155832849
Molecular FormulaC22H31F3N2O5
Molecular Weight460.49 g/mol
Exact Mass460.22
IUPAC Name2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NC1COCCC12CCN(CCc1ccccc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H30N2O3.C2HF3O2/c1-24-16-19(23)21-18-15-25-14-10-20(18)8-12-22(13-9-20)11-7-17-5-3-2-4-6-17;3-2(4,5)1(6)7/h2-6,18H,7-16H2,1H3,(H,21,23);(H,6,7)
InChIKeyUEYUGPGZBHMFEC-UHFFFAOYSA-N
XLogP2.50
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[9-(2-phenylethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746777
[2-[2-(2-Fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 8217153
5-[(4-Fluorophenyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 22386682
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711308
N-[(5S)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide
CID 97484061
N-[(5R)-9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide
CID 97484063
N-[9-[(2-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide
CID 131659580
2-methoxy-N-[9-[(4-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155824355
N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155828279
(2S,3aS,7aR)-6-(2-phenylethyl)-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155828880
2-methyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide;2,2,2-trifluoroacetic acid
CID 155831280
2-methyl-N-[8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide;2,2,2-trifluoroacetic acid
CID 155832170

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid (CID 155832849) is 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid is COCC(=O)NC1COCCC12CCN(CCc1ccccc1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is UEYUGPGZBHMFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.C2HF3O2/c1-24-16-19(23)21-18-15-25-14-10-20(18)8-12-22(13-9-20)11-7-17-5-3-2-4-6-17;3-2(4,5)1(6)7/h2-6,18H,7-16H2,1H3,(H,21,23);(H,6,7).
What are the key properties of 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid?
2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 460.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).