methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate

C15H18F3NO5 — CID 162613330

IUPACmethyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate
SMILESCOCOC(C)(C(=O)OC)N(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO5/c1-14(13(21)23-4,24-9-22-3)19(2)12(20)10-5-7-11(8-6-10)15(16,17)18/h5-8H,9H2,1-4H3
InChIKeyXKCOGDGQSUBUBD-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.29
Rot. Bonds6

About methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate

methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate (PubChem CID 162613330) has the molecular formula C15H18F3NO5 and a molecular weight of 349.31 g/mol. Its IUPAC name is methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate
PubChem CID162613330
Molecular FormulaC15H18F3NO5
Molecular Weight349.31 g/mol
Exact Mass349.11
IUPAC Namemethyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate
SMILESCOCOC(C)(C(=O)OC)N(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO5/c1-14(13(21)23-4,24-9-22-3)19(2)12(20)10-5-7-11(8-6-10)15(16,17)18/h5-8H,9H2,1-4H3
InChIKeyXKCOGDGQSUBUBD-UHFFFAOYSA-N
XLogP2.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate 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 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate (CID 162613330) is methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate is COCOC(C)(C(=O)OC)N(C)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate?
The InChIKey is XKCOGDGQSUBUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO5/c1-14(13(21)23-4,24-9-22-3)19(2)12(20)10-5-7-11(8-6-10)15(16,17)18/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate?
methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate has a molecular weight of 349.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethoxy)-2-[methyl-[4-(trifluoromethyl)benzoyl]amino]propanoate is sourced from PubChem (CID 162613330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).