N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C14H23F3N2O — CID 119044403

IUPACN-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCCC1(CNC(=O)N2CCC(C(F)(F)F)C2(C)C)CC1
InChIInChI=1S/C14H23F3N2O/c1-4-13(6-7-13)9-18-11(20)19-8-5-10(12(19,2)3)14(15,16)17/h10H,4-9H2,1-3H3,(H,18,20)
InChIKeyMTBMIEXIHJSFNE-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.55
Rot. Bonds3

About N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide

N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 119044403) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID119044403
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCCC1(CNC(=O)N2CCC(C(F)(F)F)C2(C)C)CC1
InChIInChI=1S/C14H23F3N2O/c1-4-13(6-7-13)9-18-11(20)19-8-5-10(12(19,2)3)14(15,16)17/h10H,4-9H2,1-3H3,(H,18,20)
InChIKeyMTBMIEXIHJSFNE-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044254
2,2-dimethyl-N-(1-propylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044392
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044269
(3S,4S)-1-[(1-ethylcyclopentyl)methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122006668
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044260
(3R)-2,2-dimethyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124739551
N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
CID 113258029
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124855773
2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbothioamide
CID 130507371
N-[(1-ethylcyclopentyl)methyl]-2,2,2-trifluoroacetamide
CID 103766554
4-methyl-N-[(1-propylcyclopropyl)methyl]piperidine-1-carboxamide
CID 113257177
2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044985

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 119044403) is N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CCC1(CNC(=O)N2CCC(C(F)(F)F)C2(C)C)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is MTBMIEXIHJSFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-4-13(6-7-13)9-18-11(20)19-8-5-10(12(19,2)3)14(15,16)17/h10H,4-9H2,1-3H3,(H,18,20).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119044403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).