(2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide

C13H21F3N2O2 — CID 90063242

IUPAC(2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCOC1(C(F)(F)F)CCCC(NC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H21F3N2O2/c1-20-12(13(14,15)16)6-2-4-9(8-12)18-11(19)10-5-3-7-17-10/h9-10,17H,2-8H2,1H3,(H,18,19)/t9?,10-,12?/m0/s1
InChIKeyBWEOJTUPRGRQSX-YZRBJQDESA-N
MW294.32 g/mol
LogP1.74
Rot. Bonds3

About (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide

(2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 90063242) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID90063242
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name(2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCOC1(C(F)(F)F)CCCC(NC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H21F3N2O2/c1-20-12(13(14,15)16)6-2-4-9(8-12)18-11(19)10-5-3-7-17-10/h9-10,17H,2-8H2,1H3,(H,18,19)/t9?,10-,12?/m0/s1
InChIKeyBWEOJTUPRGRQSX-YZRBJQDESA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 43698410
(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 61155301
(1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90019983
(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 90063146
tert-butyl (2S)-2-[[3-hydroxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyrrolidine-1-carboxylate
CID 90063241
(1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 140674874
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 64385333
3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 102777591
(2R)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 104900513
4,4-difluoro-N-[(4-methoxycyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120350103
4,4-difluoro-N-[(4-methoxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 120350104
4,4-difluoro-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120350880

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide (CID 90063242) is (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide is COC1(C(F)(F)F)CCCC(NC(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is BWEOJTUPRGRQSX-YZRBJQDESA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-20-12(13(14,15)16)6-2-4-9(8-12)18-11(19)10-5-3-7-17-10/h9-10,17H,2-8H2,1H3,(H,18,19)/t9?,10-,12?/m0/s1.
What are the key properties of (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90063242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).