tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate

C16H25F3N4O3 — CID 178139486

IUPACtert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate
SMILESCNC(=O)Cn1cc(C(F)(F)F)nc1CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25F3N4O3/c1-14(2,3)26-13(25)22-15(4,5)7-11-21-10(16(17,18)19)8-23(11)9-12(24)20-6/h8H,7,9H2,1-6H3,(H,20,24)(H,22,25)
InChIKeyONJXWANIYDAUEQ-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.49
Rot. Bonds5

About tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate (PubChem CID 178139486) has the molecular formula C16H25F3N4O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate
PubChem CID178139486
Molecular FormulaC16H25F3N4O3
Molecular Weight378.40 g/mol
Exact Mass378.19
IUPAC Nametert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate
SMILESCNC(=O)Cn1cc(C(F)(F)F)nc1CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25F3N4O3/c1-14(2,3)26-13(25)22-15(4,5)7-11-21-10(16(17,18)19)8-23(11)9-12(24)20-6/h8H,7,9H2,1-6H3,(H,20,24)(H,22,25)
InChIKeyONJXWANIYDAUEQ-UHFFFAOYSA-N
XLogP2.49
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate (CID 178139486) is tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate is CNC(=O)Cn1cc(C(F)(F)F)nc1CC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate?
The InChIKey is ONJXWANIYDAUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O3/c1-14(2,3)26-13(25)22-15(4,5)7-11-21-10(16(17,18)19)8-23(11)9-12(24)20-6/h8H,7,9H2,1-6H3,(H,20,24)(H,22,25).
What are the key properties of tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate has a molecular weight of 378.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[1-[2-(methylamino)-2-oxoethyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]carbamate is sourced from PubChem (CID 178139486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).