2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C23H25F3N2O4 — CID 24687511

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C23H25F3N2O4/c1-3-4-16-5-8-20(21(13-16)30-2)32-15-22(29)27-18-14-17(23(24,25)26)6-7-19(18)28-9-11-31-12-10-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,27,29)/b4-3+
InChIKeyLXRLZRSTVVNDBJ-ONEGZZNKSA-N
MW450.46 g/mol
LogP4.60
Rot. Bonds7

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 24687511) has the molecular formula C23H25F3N2O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID24687511
Molecular FormulaC23H25F3N2O4
Molecular Weight450.46 g/mol
Exact Mass450.18
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C23H25F3N2O4/c1-3-4-16-5-8-20(21(13-16)30-2)32-15-22(29)27-18-14-17(23(24,25)26)6-7-19(18)28-9-11-31-12-10-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,27,29)/b4-3+
InChIKeyLXRLZRSTVVNDBJ-ONEGZZNKSA-N
XLogP4.60
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide 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 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 24687511) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is C/C=C/c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LXRLZRSTVVNDBJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H25F3N2O4/c1-3-4-16-5-8-20(21(13-16)30-2)32-15-22(29)27-18-14-17(23(24,25)26)6-7-19(18)28-9-11-31-12-10-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,27,29)/b4-3+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 450.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24687511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).