formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide

C16H29F3N2O4 — CID 167523170

IUPACformic acid;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.O=CO
InChIInChI=1S/C11H17F3N2O2.C4H10.CH2O2/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)3;2-1-3/h7H,4-6H2,1-3H3,(H,15,18);4H,1-3H3;1H,(H,2,3)
InChIKeyBKZKCGCPENWPOF-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.53
Rot. Bonds2

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

formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (PubChem CID 167523170) has the molecular formula C16H29F3N2O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Nameformic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
PubChem CID167523170
Molecular FormulaC16H29F3N2O4
Molecular Weight370.41 g/mol
Exact Mass370.21
IUPAC Nameformic acid;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.O=CO
InChIInChI=1S/C11H17F3N2O2.C4H10.CH2O2/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)3;2-1-3/h7H,4-6H2,1-3H3,(H,15,18);4H,1-3H3;1H,(H,2,3)
InChIKeyBKZKCGCPENWPOF-UHFFFAOYSA-N
XLogP2.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (CID 167523170) is formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for formic acid;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.O=CO.
What is the InChIKey of formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is BKZKCGCPENWPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C4H10.CH2O2/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)3;2-1-3/h7H,4-6H2,1-3H3,(H,15,18);4H,1-3H3;1H,(H,2,3).
What are the key properties of formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 167523170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).