ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate

C20H20F3NO5 — CID 139985258

IUPACethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H20F3NO5/c1-3-28-18(25)12-29-15-8-9-17(27-2)16(10-15)19(26)24-11-13-4-6-14(7-5-13)20(21,22)23/h4-10H,3,11-12H2,1-2H3,(H,24,26)
InChIKeyDUFODWOXOQTHRS-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.59
Rot. Bonds8

About ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate

ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate (PubChem CID 139985258) has the molecular formula C20H20F3NO5 and a molecular weight of 411.38 g/mol. Its IUPAC name is ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate
PubChem CID139985258
Molecular FormulaC20H20F3NO5
Molecular Weight411.38 g/mol
Exact Mass411.13
IUPAC Nameethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H20F3NO5/c1-3-28-18(25)12-29-15-8-9-17(27-2)16(10-15)19(26)24-11-13-4-6-14(7-5-13)20(21,22)23/h4-10H,3,11-12H2,1-2H3,(H,24,26)
InChIKeyDUFODWOXOQTHRS-UHFFFAOYSA-N
XLogP3.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate
CID 154145410
2-[[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methylidene]butanoic acid
CID 85065177
methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2,2-dimethylpropanoate
CID 18678023
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853982
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 11420595
ethyl 2-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 10972172
5-(3-amino-2-methyl-3-oxopropyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-methoxy-5-(2-methylsulfanylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 91486477
3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17478378
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 2,4-dimethoxybenzoate
CID 50929549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate (CID 139985258) is ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate is CCOC(=O)COc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate?
The InChIKey is DUFODWOXOQTHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO5/c1-3-28-18(25)12-29-15-8-9-17(27-2)16(10-15)19(26)24-11-13-4-6-14(7-5-13)20(21,22)23/h4-10H,3,11-12H2,1-2H3,(H,24,26).
What are the key properties of ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate?
ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate has a molecular weight of 411.38 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate is sourced from PubChem (CID 139985258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).