2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

C19H26F3N3O2 — CID 155954092

IUPAC2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCCC1CN(C(=O)C(N)c2ccccc2C(F)(F)F)CC1N1CCOCC1
InChIInChI=1S/C19H26F3N3O2/c1-2-13-11-25(12-16(13)24-7-9-27-10-8-24)18(26)17(23)14-5-3-4-6-15(14)19(20,21)22/h3-6,13,16-17H,2,7-12,23H2,1H3
InChIKeyXJGOZJMAFSKQTI-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 155954092) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID155954092
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCCC1CN(C(=O)C(N)c2ccccc2C(F)(F)F)CC1N1CCOCC1
InChIInChI=1S/C19H26F3N3O2/c1-2-13-11-25(12-16(13)24-7-9-27-10-8-24)18(26)17(23)14-5-3-4-6-15(14)19(20,21)22/h3-6,13,16-17H,2,7-12,23H2,1H3
InChIKeyXJGOZJMAFSKQTI-UHFFFAOYSA-N
XLogP2.27
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6466545
2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1S)-2-[methyl(2-morpholin-4-ylethyl)amino]-2-oxo-1-phenylethyl]propanamide
CID 73212515
2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide
CID 73212516
2-[3-Methyl-1-(morpholinocarbonyl)butyl]-1-isoindolinone
CID 4355783
2-methyl-N-[4-methyl-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxopentan-2-yl]benzamide
CID 16306704
US11077113, Example 12
CID 162533422
N-(2-(4-fluorophenyl)-2-morpholinoethyl)cyclohexanecarboxamide
CID 16811477
N-methyl-N-[2-(4-morpholinyl)ethyl]-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 24791620
2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide
CID 73212593
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-2-(trifluoromethyl)benzamide
CID 16895535
N-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide
CID 45235022
3-(3-Fluorophenyl)-4-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-2-piperazinone
CID 45236871

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (CID 155954092) is 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is CCC1CN(C(=O)C(N)c2ccccc2C(F)(F)F)CC1N1CCOCC1.
What is the InChIKey of 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is XJGOZJMAFSKQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-2-13-11-25(12-16(13)24-7-9-27-10-8-24)18(26)17(23)14-5-3-4-6-15(14)19(20,21)22/h3-6,13,16-17H,2,7-12,23H2,1H3.
What are the key properties of 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 385.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 155954092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).