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

C18H32F3N3O3 — CID 167481912

IUPACcyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
SMILESC1CC1.CC(C)NC=O.CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChIInChI=1S/C11H17F3N2O2.C4H9NO.C3H6/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;1-2-3-1/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1-2H3,(H,5,6);1-3H2
InChIKeyCQBCUIITKYPKQV-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.48
Rot. Bonds4

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

cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (PubChem CID 167481912) has the molecular formula C18H32F3N3O3 and a molecular weight of 395.47 g/mol. Its IUPAC name is cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Namecyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
PubChem CID167481912
Molecular FormulaC18H32F3N3O3
Molecular Weight395.47 g/mol
Exact Mass395.24
IUPAC Namecyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
SMILESC1CC1.CC(C)NC=O.CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChIInChI=1S/C11H17F3N2O2.C4H9NO.C3H6/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;1-2-3-1/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1-2H3,(H,5,6);1-3H2
InChIKeyCQBCUIITKYPKQV-UHFFFAOYSA-N
XLogP2.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(cyclopropylmethylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 70336682
2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 166123893
ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 166156699
N-butan-2-ylformamide;3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide;ethane;2-methylpropane
CID 167481525
Acetaldehyde;2-methylpropane;2-(2,2,2-trifluoroethylamino)-1-(3,3,4-trimethylpyrrolidin-1-yl)ethanone
CID 167481764
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
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane;N-propan-2-ylformamide
CID 167521459
N-(2-amino-1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521799
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
N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521967
N-(1-cyanopropyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522132
N-(1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522853

Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (CID 167481912) is cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide is C1CC1.CC(C)NC=O.CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.
What is the InChIKey of cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is CQBCUIITKYPKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C4H9NO.C3H6/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;1-2-3-1/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1-2H3,(H,5,6);1-3H2.
What are the key properties of cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 395.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 167481912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).