methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate

C19H19F3N2O5 — CID 58308842

IUPACmethyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate
SMILESCOC(=O)NOc1cc(/C(C)=N/OCc2ccccc2OC(F)(F)F)ccc1C
InChIInChI=1S/C19H19F3N2O5/c1-12-8-9-14(10-17(12)29-24-18(25)26-3)13(2)23-27-11-15-6-4-5-7-16(15)28-19(20,21)22/h4-10H,11H2,1-3H3,(H,24,25)/b23-13+
InChIKeyHOADZMKSWCMHPT-YDZHTSKRSA-N
MW412.36 g/mol
LogP4.48
Rot. Bonds7

About methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate

methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate (PubChem CID 58308842) has the molecular formula C19H19F3N2O5 and a molecular weight of 412.36 g/mol. Its IUPAC name is methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate
PubChem CID58308842
Molecular FormulaC19H19F3N2O5
Molecular Weight412.36 g/mol
Exact Mass412.12
IUPAC Namemethyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate
SMILESCOC(=O)NOc1cc(/C(C)=N/OCc2ccccc2OC(F)(F)F)ccc1C
InChIInChI=1S/C19H19F3N2O5/c1-12-8-9-14(10-17(12)29-24-18(25)26-3)13(2)23-27-11-15-6-4-5-7-16(15)28-19(20,21)22/h4-10H,11H2,1-3H3,(H,24,25)/b23-13+
InChIKeyHOADZMKSWCMHPT-YDZHTSKRSA-N
XLogP4.48
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]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-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate?
The IUPAC name of methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate (CID 58308842) is methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate.
What is the SMILES notation for methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate?
The canonical SMILES for methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate is COC(=O)NOc1cc(/C(C)=N/OCc2ccccc2OC(F)(F)F)ccc1C.
What is the InChIKey of methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate?
The InChIKey is HOADZMKSWCMHPT-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H19F3N2O5/c1-12-8-9-14(10-17(12)29-24-18(25)26-3)13(2)23-27-11-15-6-4-5-7-16(15)28-19(20,21)22/h4-10H,11H2,1-3H3,(H,24,25)/b23-13+.
What are the key properties of methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate?
methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate has a molecular weight of 412.36 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methyl-5-[(E)-C-methyl-N-[[2-(trifluoromethoxy)phenyl]methoxy]carbonimidoyl]phenoxy]carbamate is sourced from PubChem (CID 58308842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).