N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C17H21F3N2O2 — CID 99937074

IUPACN-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1COC2(CCNCC2)C1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)13-3-1-2-12(8-13)9-15(23)22-14-10-16(24-11-14)4-6-21-7-5-16/h1-3,8,14,21H,4-7,9-11H2,(H,22,23)/t14-/m0/s1
InChIKeyGEFGXGAWIAYNPN-AWEZNQCLSA-N
MW342.36 g/mol
LogP2.28
Rot. Bonds3

About N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 99937074) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID99937074
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1COC2(CCNCC2)C1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)13-3-1-2-12(8-13)9-15(23)22-14-10-16(24-11-14)4-6-21-7-5-16/h1-3,8,14,21H,4-7,9-11H2,(H,22,23)/t14-/m0/s1
InChIKeyGEFGXGAWIAYNPN-AWEZNQCLSA-N
XLogP2.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 156778109
2-chloro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 154901494
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
acetic acid;3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-1-oxa-8-azaspiro[4.5]decane
CID 154920020
2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 119386828
(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95725925
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone
CID 159609611
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 106982175
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 133266900

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 99937074) is N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1COC2(CCNCC2)C1.
What is the InChIKey of N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GEFGXGAWIAYNPN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)13-3-1-2-12(8-13)9-15(23)22-14-10-16(24-11-14)4-6-21-7-5-16/h1-3,8,14,21H,4-7,9-11H2,(H,22,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 99937074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).