ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate

C21H23F3N2O3 — CID 42697979

IUPACethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(CCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O3/c1-2-29-19(27)13-15-26(14-12-16-8-4-3-5-9-16)20(28)25-18-11-7-6-10-17(18)21(22,23)24/h3-11H,2,12-15H2,1H3,(H,25,28)
InChIKeyWRQVXQILBCMCFZ-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.74
Rot. Bonds8

About ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate

ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate (PubChem CID 42697979) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate
PubChem CID42697979
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Nameethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(CCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O3/c1-2-29-19(27)13-15-26(14-12-16-8-4-3-5-9-16)20(28)25-18-11-7-6-10-17(18)21(22,23)24/h3-11H,2,12-15H2,1H3,(H,25,28)
InChIKeyWRQVXQILBCMCFZ-UHFFFAOYSA-N
XLogP4.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 60554553
N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide
CID 42699431
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-heptyl-1-(2-phenylethyl)urea;urea
CID 157270452
ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
CID 42697935
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide
CID 5188830
ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42700153
ethyl 3-[benzyl-[(4-bromo-2-fluorophenyl)carbamoyl]amino]propanoate
CID 4989631
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
CID 42697513

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate?
The IUPAC name of ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate (CID 42697979) is ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate is CCOC(=O)CCN(CCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate?
The InChIKey is WRQVXQILBCMCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c1-2-29-19(27)13-15-26(14-12-16-8-4-3-5-9-16)20(28)25-18-11-7-6-10-17(18)21(22,23)24/h3-11H,2,12-15H2,1H3,(H,25,28).
What are the key properties of ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate?
ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate has a molecular weight of 408.42 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate is sourced from PubChem (CID 42697979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).