ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate

C18H25F3N2O4 — CID 55654786

IUPACethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(OCC(F)(F)F)cc1)CC(C)C
InChIInChI=1S/C18H25F3N2O4/c1-4-26-17(25)23-14(9-12(2)3)10-22-16(24)13-5-7-15(8-6-13)27-11-18(19,20)21/h5-8,12,14H,4,9-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXMDGEYIDYXWOQB-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.52
Rot. Bonds9

About ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate (PubChem CID 55654786) has the molecular formula C18H25F3N2O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
PubChem CID55654786
Molecular FormulaC18H25F3N2O4
Molecular Weight390.40 g/mol
Exact Mass390.18
IUPAC Nameethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(OCC(F)(F)F)cc1)CC(C)C
InChIInChI=1S/C18H25F3N2O4/c1-4-26-17(25)23-14(9-12(2)3)10-22-16(24)13-5-7-15(8-6-13)27-11-18(19,20)21/h5-8,12,14H,4,9-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXMDGEYIDYXWOQB-UHFFFAOYSA-N
XLogP3.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate with MolForge

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Related Compounds

ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[4-methyl-1-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pentan-2-yl]carbamate
CID 46483038
ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate
CID 60580044
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
CID 46432540
ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate
CID 47031603
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46432510
N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607000
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46480603

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate (CID 55654786) is ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1ccc(OCC(F)(F)F)cc1)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate?
The InChIKey is XMDGEYIDYXWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O4/c1-4-26-17(25)23-14(9-12(2)3)10-22-16(24)13-5-7-15(8-6-13)27-11-18(19,20)21/h5-8,12,14H,4,9-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate has a molecular weight of 390.40 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 55654786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).