ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate

C17H22F3NO5 — CID 71879831

IUPACethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO5/c1-3-25-16(23)12-21(10-11-24-2)15(22)9-6-13-4-7-14(8-5-13)26-17(18,19)20/h4-5,7-8H,3,6,9-12H2,1-2H3
InChIKeyQLPJGAQYBQVOHC-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.56
Rot. Bonds10

About ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate

ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate (PubChem CID 71879831) has the molecular formula C17H22F3NO5 and a molecular weight of 377.36 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate
PubChem CID71879831
Molecular FormulaC17H22F3NO5
Molecular Weight377.36 g/mol
Exact Mass377.15
IUPAC Nameethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO5/c1-3-25-16(23)12-21(10-11-24-2)15(22)9-6-13-4-7-14(8-5-13)26-17(18,19)20/h4-5,7-8H,3,6,9-12H2,1-2H3
InChIKeyQLPJGAQYBQVOHC-UHFFFAOYSA-N
XLogP2.56
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119348164
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
16-[4-(trifluoromethoxy)phenyl]hexadecan-2-one
CID 70484420
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
CID 114328195
ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
CID 61011840
ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate
CID 75405903
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
CID 54875632
ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632610
N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858628

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate (CID 71879831) is ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate is CCOC(=O)CN(CCOC)C(=O)CCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate?
The InChIKey is QLPJGAQYBQVOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO5/c1-3-25-16(23)12-21(10-11-24-2)15(22)9-6-13-4-7-14(8-5-13)26-17(18,19)20/h4-5,7-8H,3,6,9-12H2,1-2H3.
What are the key properties of ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate?
ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate has a molecular weight of 377.36 g/mol, XLogP of 2.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate is sourced from PubChem (CID 71879831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).