N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H25F3N2O — CID 63709661

IUPACN-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H25F3N2O/c1-4-11(5-2)9-19(6-3)12(20)13(14(15,16)17)7-8-18-10-13/h11,18H,4-10H2,1-3H3
InChIKeyIADMQLWTGNNGBY-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.81
Rot. Bonds6

About N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709661) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709661
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H25F3N2O/c1-4-11(5-2)9-19(6-3)12(20)13(14(15,16)17)7-8-18-10-13/h11,18H,4-10H2,1-3H3
InChIKeyIADMQLWTGNNGBY-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129498599
N-(2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45812054
4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 56709504
2-(Aminomethyl)-1-(3,3-dimethylpyrrolidin-1-yl)-2-ethylbutan-1-one
CID 75482276
N-methyl-2-[(3R)-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]acetamide
CID 129610500
(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide
CID 164638908
2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide
CID 19046079
(3S)-N-(2,2-difluoroethyl)pyrrolidine-3-carboxamide
CID 57606100
1-(2,8-Diazaspiro[4.5]decan-2-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700641
1-(2,8-Diazaspiro[4.5]decan-8-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700826
N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60753369
N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63007055

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709661) is N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCC(CC)CN(CC)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is IADMQLWTGNNGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-4-11(5-2)9-19(6-3)12(20)13(14(15,16)17)7-8-18-10-13/h11,18H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).