N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide

C20H22F3N3O3 — CID 47984901

IUPACN-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
SMILESCCOc1ccc(NC(=O)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3N3O3/c1-2-29-17-9-7-16(8-10-17)26-18(27)13-25-19(28)24-12-11-14-3-5-15(6-4-14)20(21,22)23/h3-10H,2,11-13H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyJEYBMWKIWFWIAB-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.58
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide

N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide (PubChem CID 47984901) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
PubChem CID47984901
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
SMILESCCOc1ccc(NC(=O)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3N3O3/c1-2-29-17-9-7-16(8-10-17)26-18(27)13-25-19(28)24-12-11-14-3-5-15(6-4-14)20(21,22)23/h3-10H,2,11-13H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyJEYBMWKIWFWIAB-UHFFFAOYSA-N
XLogP3.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
CID 38167227
ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
CID 3740892
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 108529772
2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 46494014
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide
CID 87000141
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide (CID 47984901) is N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide is CCOc1ccc(NC(=O)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
The InChIKey is JEYBMWKIWFWIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-2-29-17-9-7-16(8-10-17)26-18(27)13-25-19(28)24-12-11-14-3-5-15(6-4-14)20(21,22)23/h3-10H,2,11-13H2,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide has a molecular weight of 409.41 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide is sourced from PubChem (CID 47984901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).