(2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

C14H17F3N2O4 — CID 44538161

IUPAC(2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O4/c1-9(20)19-12(8-22-2)13(21)18-7-10-3-5-11(6-4-10)23-14(15,16)17/h3-6,12H,7-8H2,1-2H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyJUXZITMPFYQKCZ-GFCCVEGCSA-N
MW334.29 g/mol
LogP1.35
Rot. Bonds7

About (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

(2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 44538161) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID44538161
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name(2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O4/c1-9(20)19-12(8-22-2)13(21)18-7-10-3-5-11(6-4-10)23-14(15,16)17/h3-6,12H,7-8H2,1-2H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyJUXZITMPFYQKCZ-GFCCVEGCSA-N
XLogP1.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (CID 44538161) is (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is COC[C@@H](NC(C)=O)C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is JUXZITMPFYQKCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-9(20)19-12(8-22-2)13(21)18-7-10-3-5-11(6-4-10)23-14(15,16)17/h3-6,12H,7-8H2,1-2H3,(H,18,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
(2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 334.29 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 44538161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).