tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate

C20H22F3NO2 — CID 141074386

IUPACtert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO2/c1-19(2,3)26-18(25)24(13-15-7-5-4-6-8-15)14-16-9-11-17(12-10-16)20(21,22)23/h4-12H,13-14H2,1-3H3
InChIKeyFPCAXHKQFWLIOV-UHFFFAOYSA-N
MW365.40 g/mol
LogP5.64
Rot. Bonds4

About tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate

tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 141074386) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID141074386
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Nametert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO2/c1-19(2,3)26-18(25)24(13-15-7-5-4-6-8-15)14-16-9-11-17(12-10-16)20(21,22)23/h4-12H,13-14H2,1-3H3
InChIKeyFPCAXHKQFWLIOV-UHFFFAOYSA-N
XLogP5.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 4-[[(2-methylpropan-2-yl)oxycarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzoate
CID 67186842
tert-butyl N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 166513816
[(2-methylpropan-2-yl)oxycarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]azanide
CID 144685183
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
[4-[[(2-methylpropan-2-yl)oxycarbonyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]amino]methyl]phenyl]methyl-triphenylphosphanium
CID 102024480
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
CID 146629993
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
methyl (E)-3-[4-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]prop-2-enoate
CID 22632233
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate (CID 141074386) is tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is FPCAXHKQFWLIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-19(2,3)26-18(25)24(13-15-7-5-4-6-8-15)14-16-9-11-17(12-10-16)20(21,22)23/h4-12H,13-14H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 365.40 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 141074386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).