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

C19H25F3N2O2 — CID 45177160

IUPACN-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)O1
InChIInChI=1S/C19H25F3N2O2/c1-14(25)23-12-17-5-6-18(26-17)7-9-24(10-8-18)13-15-3-2-4-16(11-15)19(20,21)22/h2-4,11,17H,5-10,12-13H2,1H3,(H,23,25)
InChIKeyPKXHHSSORNZOIS-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.36
Rot. Bonds4

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

N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 45177160) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID45177160
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC NameN-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)O1
InChIInChI=1S/C19H25F3N2O2/c1-14(25)23-12-17-5-6-18(26-17)7-9-24(10-8-18)13-15-3-2-4-16(11-15)19(20,21)22/h2-4,11,17H,5-10,12-13H2,1H3,(H,23,25)
InChIKeyPKXHHSSORNZOIS-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 45177160) is N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is CC(=O)NCC1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)O1.
What is the InChIKey of N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is PKXHHSSORNZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-14(25)23-12-17-5-6-18(26-17)7-9-24(10-8-18)13-15-3-2-4-16(11-15)19(20,21)22/h2-4,11,17H,5-10,12-13H2,1H3,(H,23,25).
What are the key properties of N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 370.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 45177160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).