3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C17H23F3N2O2 — CID 56787342

IUPAC3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOc1ccc(CC(C)N(C)C2CCN(CC(F)(F)F)C2=O)cc1
InChIInChI=1S/C17H23F3N2O2/c1-12(10-13-4-6-14(24-3)7-5-13)21(2)15-8-9-22(16(15)23)11-17(18,19)20/h4-7,12,15H,8-11H2,1-3H3
InChIKeyILHCMMGMFXMYRQ-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.72
Rot. Bonds6

About 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 56787342) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID56787342
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOc1ccc(CC(C)N(C)C2CCN(CC(F)(F)F)C2=O)cc1
InChIInChI=1S/C17H23F3N2O2/c1-12(10-13-4-6-14(24-3)7-5-13)21(2)15-8-9-22(16(15)23)11-17(18,19)20/h4-7,12,15H,8-11H2,1-3H3
InChIKeyILHCMMGMFXMYRQ-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95621630
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
(3R)-3-[methyl-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95339532
(3R)-3-[[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 98846919
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
3-[[2-(dimethylamino)phenyl]methyl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71989012
N-ethyl-1-(4-methoxyphenyl)-N-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 18352870
(3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97325616
3-[methyl-[(2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56805298
(3S)-3-[(1R)-1-(2-methoxyphenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96517404
3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119145641
3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 96530790

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 56787342) is 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is COc1ccc(CC(C)N(C)C2CCN(CC(F)(F)F)C2=O)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is ILHCMMGMFXMYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-12(10-13-4-6-14(24-3)7-5-13)21(2)15-8-9-22(16(15)23)11-17(18,19)20/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 344.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)propan-2-yl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 56787342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).