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

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

ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (PubChem CID 167521392) has the molecular formula C22H47F3N4O3 and a molecular weight of 472.64 g/mol. Its IUPAC name is ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name	ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
PubChem CID	167521392
Molecular Formula	C22H47F3N4O3
Molecular Weight	472.64 g/mol
Exact Mass	472.36
IUPAC Name	ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
SMILES	CC.CC(C)C.CC(C)NC=O.CN.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChI	InChI=1S/C11H17F3N2O2.C4H9NO.C4H10.C2H6.CH5N/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)5-3-6;1-4(2)3;2*1-2/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1-2H3,(H,5,6);4H,1-3H3;1-2H3;2H2,1H3/t7-;;;;/m0..../s1
InChIKey	LTAMEFLJOXZQEU-HEDVWWMMSA-N
XLogP	3.57
TPSA	104.53 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.64
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (CID 167521392) is ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

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

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

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

The InChIKey is LTAMEFLJOXZQEU-HEDVWWMMSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C4H9NO.C4H10.C2H6.CH5N/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2)5-3-6;1-4(2)3;2*1-2/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1-2H3,(H,5,6);4H,1-3H3;1-2H3;2H2,1H3/t7-;;;;/m0..../s1.

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

ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 472.64 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167521392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).