N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide

C23H38F3N5O4 — CID 166123892

IUPACN-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
SMILESCC(C)C.CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.N#CC(CC1CCNC1=O)NC=O
InChIInChI=1S/C11H17F3N2O2.C8H11N3O2.C4H10/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;9-4-7(11-5-12)3-6-1-2-10-8(6)13;1-4(2)3/h7H,4-6H2,1-3H3,(H,15,18);5-7H,1-3H2,(H,10,13)(H,11,12);4H,1-3H3
InChIKeyMGRLLKMROKUTSN-UHFFFAOYSA-N
MW505.58 g/mol
LogP1.98
Rot. Bonds6

About N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide

N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (PubChem CID 166123892) has the molecular formula C23H38F3N5O4 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
PubChem CID166123892
Molecular FormulaC23H38F3N5O4
Molecular Weight505.58 g/mol
Exact Mass505.29
IUPAC NameN-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
SMILESCC(C)C.CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.N#CC(CC1CCNC1=O)NC=O
InChIInChI=1S/C11H17F3N2O2.C8H11N3O2.C4H10/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;9-4-7(11-5-12)3-6-1-2-10-8(6)13;1-4(2)3/h7H,4-6H2,1-3H3,(H,15,18);5-7H,1-3H2,(H,10,13)(H,11,12);4H,1-3H3
InChIKeyMGRLLKMROKUTSN-UHFFFAOYSA-N
XLogP1.98
TPSA131.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (CID 166123892) is N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide is CC(C)C.CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.N#CC(CC1CCNC1=O)NC=O.
What is the InChIKey of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is MGRLLKMROKUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C8H11N3O2.C4H10/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;9-4-7(11-5-12)3-6-1-2-10-8(6)13;1-4(2)3/h7H,4-6H2,1-3H3,(H,15,18);5-7H,1-3H2,(H,10,13)(H,11,12);4H,1-3H3.
What are the key properties of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 505.58 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 166123892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).