N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C14H21F3N2O2 — CID 51361554

IUPACN-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-13(12(21)18-10-5-3-2-4-6-10)8-7-11(20)19(13)9-14(15,16)17/h10H,2-9H2,1H3,(H,18,21)
InChIKeyGNTNCAXXYYBCLC-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.38
Rot. Bonds3

About N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 51361554) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID51361554
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC NameN-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-13(12(21)18-10-5-3-2-4-6-10)8-7-11(20)19(13)9-14(15,16)17/h10H,2-9H2,1H3,(H,18,21)
InChIKeyGNTNCAXXYYBCLC-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(cyclohexylmethyl)-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864916
2-(2,2-Dimethyl-5-oxopyrrolidin-1-yl)-N-(2-hydroxy-2-iminoethyl)butanimidic acid
CID 3050862
2-(2,2-Dimethyl-5-oxopyrrolidin-1-yl)-N-(2-hydroxy-2-iminoethyl)propanimidic acid
CID 3050863
1-Pyrrolidineacetamide, 2,2-dimethyl-alpha-5-oxo-N-(2-oxo-2-(propylamino)ethyl)-
CID 3050864
N-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51361557
N-cyclohexyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361540
N-tert-butyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51361561
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 71653718
(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 139534066
(2S)-2-[2-oxo-4-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]butanamide
CID 9921497
2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9942923
N-tert-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361562

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 51361554) is N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCCC2)CCC(=O)N1CC(F)(F)F.
What is the InChIKey of N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is GNTNCAXXYYBCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-13(12(21)18-10-5-3-2-4-6-10)8-7-11(20)19(13)9-14(15,16)17/h10H,2-9H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51361554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).