N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C12H19F3N2O4 — CID 103915655

IUPACN-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(CCO)CC(F)(F)F)CC1=O
InChIInChI=1S/C12H19F3N2O4/c1-21-5-3-16-7-9(6-10(16)19)11(20)17(2-4-18)8-12(13,14)15/h9,18H,2-8H2,1H3
InChIKeyROJIQGKVOIOVEM-UHFFFAOYSA-N
MW312.29 g/mol
LogP-0.14
Rot. Bonds7

About N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 103915655) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID103915655
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC NameN-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(CCO)CC(F)(F)F)CC1=O
InChIInChI=1S/C12H19F3N2O4/c1-21-5-3-16-7-9(6-10(16)19)11(20)17(2-4-18)8-12(13,14)15/h9,18H,2-8H2,1H3
InChIKeyROJIQGKVOIOVEM-UHFFFAOYSA-N
XLogP-0.14
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43573450
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
N-(2-hydroxypropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55060626
N-(2-hydroxyethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60749980
N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 61038581
N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 61233794
Methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate
CID 61383623
N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 61581028
Ethyl 2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate
CID 61597903
N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 78860212
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 79377658
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 79382161

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 103915655) is N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is COCCN1CC(C(=O)N(CCO)CC(F)(F)F)CC1=O.
What is the InChIKey of N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is ROJIQGKVOIOVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-21-5-3-16-7-9(6-10(16)19)11(20)17(2-4-18)8-12(13,14)15/h9,18H,2-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 312.29 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103915655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).