N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H20F3N3O3 — CID 63709867

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O3/c1-18(7-9(19)17-5-6-21-2)10(20)11(12(13,14)15)3-4-16-8-11/h16H,3-8H2,1-2H3,(H,17,19)
InChIKeyBDPWBBCVLYQOKT-UHFFFAOYSA-N
MW311.30 g/mol
LogP-0.25
Rot. Bonds6

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709867) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709867
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O3/c1-18(7-9(19)17-5-6-21-2)10(20)11(12(13,14)15)3-4-16-8-11/h16H,3-8H2,1-2H3,(H,17,19)
InChIKeyBDPWBBCVLYQOKT-UHFFFAOYSA-N
XLogP-0.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709867) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is COCCNC(=O)CN(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is BDPWBBCVLYQOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-18(7-9(19)17-5-6-21-2)10(20)11(12(13,14)15)3-4-16-8-11/h16H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).