3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide

C18H21F3N2O3 — CID 91925463

IUPAC3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O3/c1-11(2)23-14(17(16(23)25)8-3-4-9-17)15(24)22-12-6-5-7-13(10-12)26-18(19,20)21/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,22,24)
InChIKeyRVNKHLSSCCCBOU-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.70
Rot. Bonds4

About 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide

3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide (PubChem CID 91925463) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide.

Molecular Properties

Compound Name3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide
PubChem CID91925463
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O3/c1-11(2)23-14(17(16(23)25)8-3-4-9-17)15(24)22-12-6-5-7-13(10-12)26-18(19,20)21/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,22,24)
InChIKeyRVNKHLSSCCCBOU-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 71125129
1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 31841999
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 95143295
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
N-[3-(trifluoromethoxy)phenyl]-1,5-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 75394664

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide?
The IUPAC name of 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide (CID 91925463) is 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide.
What is the SMILES notation for 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide?
The canonical SMILES for 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide is CC(C)N1C(=O)C2(CCCC2)C1C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide?
The InChIKey is RVNKHLSSCCCBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-11(2)23-14(17(16(23)25)8-3-4-9-17)15(24)22-12-6-5-7-13(10-12)26-18(19,20)21/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,22,24).
What are the key properties of 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide?
3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide is sourced from PubChem (CID 91925463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).