N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

C21H35F3N2O6 — CID 155845966

IUPACN,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC1CC2(CCN(CC3CCOCC3)CC2)CO1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H34N2O4.C2HF3O2/c1-20(2)18(22)14-24-13-17-11-19(15-25-17)5-7-21(8-6-19)12-16-3-9-23-10-4-16;3-2(4,5)1(6)7/h16-17H,3-15H2,1-2H3;(H,6,7)
InChIKeyCYOPPYFAOVALBB-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.02
Rot. Bonds6

About N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155845966) has the molecular formula C21H35F3N2O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155845966
Molecular FormulaC21H35F3N2O6
Molecular Weight468.51 g/mol
Exact Mass468.24
IUPAC NameN,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC1CC2(CCN(CC3CCOCC3)CC2)CO1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H34N2O4.C2HF3O2/c1-20(2)18(22)14-24-13-17-11-19(15-25-17)5-7-21(8-6-19)12-16-3-9-23-10-4-16;3-2(4,5)1(6)7/h16-17H,3-15H2,1-2H3;(H,6,7)
InChIKeyCYOPPYFAOVALBB-UHFFFAOYSA-N
XLogP2.02
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 131657076
2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
CID 97418169
2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
CID 97474482
N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 97477545
N,N-dimethyl-2-[[(3R)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 97484135
[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418259
2-[2-(dimethylamino)ethyl]-8-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155835342
2-[[(3aR,5R,7aR)-1-(oxan-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 97379146
1-(2,5-dihydropyrrol-1-yl)-2-[3-(oxan-4-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155842140
1-[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-ethoxyethanone
CID 97418251
1-[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(dimethylamino)ethanone
CID 97418249
[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418040

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (CID 155845966) is N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)COCC1CC2(CCN(CC3CCOCC3)CC2)CO1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is CYOPPYFAOVALBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4.C2HF3O2/c1-20(2)18(22)14-24-13-17-11-19(15-25-17)5-7-21(8-6-19)12-16-3-9-23-10-4-16;3-2(4,5)1(6)7/h16-17H,3-15H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 468.51 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155845966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).