N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide

C20H23F3N2O3 — CID 53390461

IUPACN-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide
SMILESCOC(CNc1ccc(C(F)(F)F)cc1)COc1ccccc1CNC(C)=O
InChIInChI=1S/C20H23F3N2O3/c1-14(26)24-11-15-5-3-4-6-19(15)28-13-18(27-2)12-25-17-9-7-16(8-10-17)20(21,22)23/h3-10,18,25H,11-13H2,1-2H3,(H,24,26)
InChIKeyGJXPAYHDJOIPBX-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.85
Rot. Bonds9

About N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide

N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide (PubChem CID 53390461) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide
PubChem CID53390461
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide
SMILESCOC(CNc1ccc(C(F)(F)F)cc1)COc1ccccc1CNC(C)=O
InChIInChI=1S/C20H23F3N2O3/c1-14(26)24-11-15-5-3-4-6-19(15)28-13-18(27-2)12-25-17-9-7-16(8-10-17)20(21,22)23/h3-10,18,25H,11-13H2,1-2H3,(H,24,26)
InChIKeyGJXPAYHDJOIPBX-UHFFFAOYSA-N
XLogP3.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]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 N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide?
The IUPAC name of N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide (CID 53390461) is N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide is COC(CNc1ccc(C(F)(F)F)cc1)COc1ccccc1CNC(C)=O.
What is the InChIKey of N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide?
The InChIKey is GJXPAYHDJOIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-14(26)24-11-15-5-3-4-6-19(15)28-13-18(27-2)12-25-17-9-7-16(8-10-17)20(21,22)23/h3-10,18,25H,11-13H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide?
N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 53390461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).