tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate

C18H25F3N2O5 — CID 131743232

IUPACtert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(OCCN2CCOCC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O5/c1-17(2,3)28-16(24)22-13-10-14(12-15(11-13)27-18(19,20)21)26-9-6-23-4-7-25-8-5-23/h10-12H,4-9H2,1-3H3,(H,22,24)
InChIKeyHVFPCHQLERMWDK-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.64
Rot. Bonds6

About tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate

tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate (PubChem CID 131743232) has the molecular formula C18H25F3N2O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate
PubChem CID131743232
Molecular FormulaC18H25F3N2O5
Molecular Weight406.40 g/mol
Exact Mass406.17
IUPAC Nametert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(OCCN2CCOCC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O5/c1-17(2,3)28-16(24)22-13-10-14(12-15(11-13)27-18(19,20)21)26-9-6-23-4-7-25-8-5-23/h10-12H,4-9H2,1-3H3,(H,22,24)
InChIKeyHVFPCHQLERMWDK-UHFFFAOYSA-N
XLogP3.64
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline
CID 164584084
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
2-ethoxy-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]butanamide
CID 133246288
tert-butyl N-[1-[2-[4-bromo-3-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]carbamate
CID 170855117
1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea
CID 138612691
tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
CID 141136668
tert-butyl N-[4-[2-[3-ethynyl-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
CID 131743233
(E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 44535406
tert-butyl N-[2-[[N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885028
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate (CID 131743232) is tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(OCCN2CCOCC2)cc(OC(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is HVFPCHQLERMWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O5/c1-17(2,3)28-16(24)22-13-10-14(12-15(11-13)27-18(19,20)21)26-9-6-23-4-7-25-8-5-23/h10-12H,4-9H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate?
tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 406.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 131743232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).