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

C14H25F3N2O4 — CID 47031603

IUPACethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)C(C)OCC(F)(F)F)CC(C)C
InChIInChI=1S/C14H25F3N2O4/c1-5-22-13(21)19-11(6-9(2)3)7-18-12(20)10(4)23-8-14(15,16)17/h9-11H,5-8H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyLFQPSYLFEGKHSR-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.23
Rot. Bonds9

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

ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate (PubChem CID 47031603) has the molecular formula C14H25F3N2O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate
PubChem CID47031603
Molecular FormulaC14H25F3N2O4
Molecular Weight342.36 g/mol
Exact Mass342.18
IUPAC Nameethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)C(C)OCC(F)(F)F)CC(C)C
InChIInChI=1S/C14H25F3N2O4/c1-5-22-13(21)19-11(6-9(2)3)7-18-12(20)10(4)23-8-14(15,16)17/h9-11H,5-8H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyLFQPSYLFEGKHSR-UHFFFAOYSA-N
XLogP2.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate
CID 55654792
ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
CID 55654786
ethyl N-[1-[2-(4-bromophenoxy)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 55655114
ethyl N-[4-methyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]pentan-2-yl]carbamate
CID 111069550
ethyl N-[4-methyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 111069549
ethyl N-[4-methyl-1-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pentan-2-yl]carbamate
CID 46483038
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
ethyl N-[4-methyl-1-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 109377550
ethyl N-[4-methyl-1-[(N'-methyl-N-pentylcarbamimidoyl)amino]pentan-2-yl]carbamate
CID 111128443
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[1-(methanesulfonamido)-4-methylpentan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate (CID 47031603) is ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)C(C)OCC(F)(F)F)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate?
The InChIKey is LFQPSYLFEGKHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O4/c1-5-22-13(21)19-11(6-9(2)3)7-18-12(20)10(4)23-8-14(15,16)17/h9-11H,5-8H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate has a molecular weight of 342.36 g/mol, XLogP of 2.23, 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-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 47031603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).