(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide

C19H22F3NO3 — CID 10690435

IUPAC(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide
SMILESCO[C@@](C(=O)NC[C@@H](C)Cc1occc1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H22F3NO3/c1-13(11-16-14(2)9-10-26-16)12-23-17(24)18(25-3,19(20,21)22)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,24)/t13-,18+/m0/s1
InChIKeyTUXVFZTWNXNCLI-SCLBCKFNSA-N
MW369.38 g/mol
LogP3.99
Rot. Bonds7

About (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide

(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide (PubChem CID 10690435) has the molecular formula C19H22F3NO3 and a molecular weight of 369.38 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide
PubChem CID10690435
Molecular FormulaC19H22F3NO3
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide
SMILESCO[C@@](C(=O)NC[C@@H](C)Cc1occc1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H22F3NO3/c1-13(11-16-14(2)9-10-26-16)12-23-17(24)18(25-3,19(20,21)22)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,24)/t13-,18+/m0/s1
InChIKeyTUXVFZTWNXNCLI-SCLBCKFNSA-N
XLogP3.99
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide (CID 10690435) is (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide is CO[C@@](C(=O)NC[C@@H](C)Cc1occc1C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide?
The InChIKey is TUXVFZTWNXNCLI-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H22F3NO3/c1-13(11-16-14(2)9-10-26-16)12-23-17(24)18(25-3,19(20,21)22)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,24)/t13-,18+/m0/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide?
(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide has a molecular weight of 369.38 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S)-2-methyl-3-(3-methylfuran-2-yl)propyl]-2-phenylpropanamide is sourced from PubChem (CID 10690435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).