N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C12H20F2N2O4 — CID 107482954

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(CCO)CC(F)F)CC1=O
InChIInChI=1S/C12H20F2N2O4/c1-20-5-3-15-7-9(6-11(15)18)12(19)16(2-4-17)8-10(13)14/h9-10,17H,2-8H2,1H3
InChIKeyBOZCAIOTHIXELI-UHFFFAOYSA-N
MW294.30 g/mol
LogP-0.43
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 107482954) has the molecular formula C12H20F2N2O4 and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID107482954
Molecular FormulaC12H20F2N2O4
Molecular Weight294.30 g/mol
Exact Mass294.14
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(CCO)CC(F)F)CC1=O
InChIInChI=1S/C12H20F2N2O4/c1-20-5-3-15-7-9(6-11(15)18)12(19)16(2-4-17)8-10(13)14/h9-10,17H,2-8H2,1H3
InChIKeyBOZCAIOTHIXELI-UHFFFAOYSA-N
XLogP-0.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 43577188
N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 62333500
1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113182555
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 60989328
1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 131946273
ethyl 2-[ethyl-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 61013053
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 97150658
4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66085744
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 115767487

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 107482954) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)N(CCO)CC(F)F)CC1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BOZCAIOTHIXELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O4/c1-20-5-3-15-7-9(6-11(15)18)12(19)16(2-4-17)8-10(13)14/h9-10,17H,2-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 294.30 g/mol, XLogP of -0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 107482954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).