butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

About butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (PubChem CID 167521827) has the molecular formula C23H48F3N3O3 and a molecular weight of 471.65 g/mol. Its IUPAC name is butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name	butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
PubChem CID	167521827
Molecular Formula	C23H48F3N3O3
Molecular Weight	471.65 g/mol
Exact Mass	471.36
IUPAC Name	butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
SMILES	CC.CC(C)C.CCCC.CNC=O.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChI	InChI=1S/C11H17F3N2O2.2C4H10.C2H5NO.C2H6/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)3;1-3-4-2;1-3-2-4;1-2/h7H,4-6H2,1-3H3,(H,15,18);4H,1-3H3;3-4H2,1-2H3;2H,1H3,(H,3,4);1-2H3/t7-;;;;/m0..../s1
InChIKey	YSYHLGROOHXMKD-HEDVWWMMSA-N
XLogP	5.03
TPSA	78.51 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.65
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

The IUPAC name of butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (CID 167521827) is butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

What is the SMILES notation for butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

The canonical SMILES for butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is CC.CC(C)C.CCCC.CNC=O.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.

What is the InChIKey of butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

The InChIKey is YSYHLGROOHXMKD-HEDVWWMMSA-N. The full InChI is InChI=1S/C11H17F3N2O2.2C4H10.C2H5NO.C2H6/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)3;1-3-4-2;1-3-2-4;1-2/h7H,4-6H2,1-3H3,(H,15,18);4H,1-3H3;3-4H2,1-2H3;2H,1H3,(H,3,4);1-2H3/t7-;;;;/m0..../s1.

What are the key properties of butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 471.65 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167521827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).