tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate

C18H25F3N2O4 — CID 54757703

IUPACtert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H25F3N2O4/c1-11(2)14(23-16(25)27-17(3,4)5)15(24)22-10-12-8-6-7-9-13(12)26-18(19,20)21/h6-9,11,14H,10H2,1-5H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyKIKXWWFIFIDAGH-CQSZACIVSA-N
MW390.40 g/mol
LogP3.75
Rot. Bonds6

About tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate

tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate (PubChem CID 54757703) has the molecular formula C18H25F3N2O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate
PubChem CID54757703
Molecular FormulaC18H25F3N2O4
Molecular Weight390.40 g/mol
Exact Mass390.18
IUPAC Nametert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H25F3N2O4/c1-11(2)14(23-16(25)27-17(3,4)5)15(24)22-10-12-8-6-7-9-13(12)26-18(19,20)21/h6-9,11,14H,10H2,1-5H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyKIKXWWFIFIDAGH-CQSZACIVSA-N
XLogP3.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 110409696
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 54757476
tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 156757814
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
tert-butyl N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]carbamate
CID 14440793
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 14774475
tert-butyl N-[3-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 34555235
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 111454167
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate (CID 54757703) is tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate is CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate?
The InChIKey is KIKXWWFIFIDAGH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25F3N2O4/c1-11(2)14(23-16(25)27-17(3,4)5)15(24)22-10-12-8-6-7-9-13(12)26-18(19,20)21/h6-9,11,14H,10H2,1-5H3,(H,22,24)(H,23,25)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate?
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate has a molecular weight of 390.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-methyl-1-oxo-1-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate is sourced from PubChem (CID 54757703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).