methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate

C19H20F3NO3 — CID 19962484

IUPACmethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
SMILESCOC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H20F3NO3/c1-23(18(24)25-2)13-12-17(14-6-4-3-5-7-14)26-16-10-8-15(9-11-16)19(20,21)22/h3-11,17H,12-13H2,1-2H3
InChIKeyXJAKKLMDUCLYDF-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.91
Rot. Bonds6

About methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate

methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate (PubChem CID 19962484) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
PubChem CID19962484
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Namemethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
SMILESCOC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H20F3NO3/c1-23(18(24)25-2)13-12-17(14-6-4-3-5-7-14)26-16-10-8-15(9-11-16)19(20,21)22/h3-11,17H,12-13H2,1-2H3
InChIKeyXJAKKLMDUCLYDF-UHFFFAOYSA-N
XLogP4.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate 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 methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate?
The IUPAC name of methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate (CID 19962484) is methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate is COC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate?
The InChIKey is XJAKKLMDUCLYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-23(18(24)25-2)13-12-17(14-6-4-3-5-7-14)26-16-10-8-15(9-11-16)19(20,21)22/h3-11,17H,12-13H2,1-2H3.
What are the key properties of methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate?
methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate has a molecular weight of 367.37 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate is sourced from PubChem (CID 19962484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).