ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate

C18H23F3N2O3 — CID 2968364

IUPACethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate
SMILESCCOC(=O)C(NC(=O)NC1CCCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H23F3N2O3/c1-2-26-15(24)17(18(19,20)21,13-9-5-3-6-10-13)23-16(25)22-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H2,22,23,25)
InChIKeyJRPJWBONPNEUHJ-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.64
Rot. Bonds5

About ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate

ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate (PubChem CID 2968364) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate
PubChem CID2968364
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Nameethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate
SMILESCCOC(=O)C(NC(=O)NC1CCCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H23F3N2O3/c1-2-26-15(24)17(18(19,20)21,13-9-5-3-6-10-13)23-16(25)22-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H2,22,23,25)
InChIKeyJRPJWBONPNEUHJ-UHFFFAOYSA-N
XLogP3.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate
CID 7129796
ethyl (2S)-3,3,3-trifluoro-2-[(2-methylphenyl)carbamoylamino]-2-phenylpropanoate
CID 7129795
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
ethyl 3,3,3-trifluoro-2-[[2-methyl-4-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)phenyl]carbamoylamino]-2-phenylpropanoate
CID 4641078
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2676355
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 17387309
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
ethyl 3,3,3-trifluoro-2-(4-fluorophenyl)-2-[(4-methyl-2-pyridinyl)carbamoylamino]propanoate
CID 5159228
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
ethyl (2S)-3,3,3-trifluoro-2-(4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]propanoate
CID 7129810

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate?
The IUPAC name of ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate (CID 2968364) is ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate.
What is the SMILES notation for ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate?
The canonical SMILES for ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate is CCOC(=O)C(NC(=O)NC1CCCCC1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate?
The InChIKey is JRPJWBONPNEUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-2-26-15(24)17(18(19,20)21,13-9-5-3-6-10-13)23-16(25)22-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H2,22,23,25).
What are the key properties of ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate?
ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate has a molecular weight of 372.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate is sourced from PubChem (CID 2968364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).