tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate

C12H23F3N2O3 — CID 118190372

IUPACtert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C12H23F3N2O3/c1-11(2,3)20-10(19)17(5)7-6-16(4)8-9(18)12(13,14)15/h9,18H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyKTVXNZMUXLYPCM-SECBINFHSA-N
MW300.32 g/mol
LogP1.71
Rot. Bonds5

About tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate (PubChem CID 118190372) has the molecular formula C12H23F3N2O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate
PubChem CID118190372
Molecular FormulaC12H23F3N2O3
Molecular Weight300.32 g/mol
Exact Mass300.17
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C12H23F3N2O3/c1-11(2,3)20-10(19)17(5)7-6-16(4)8-9(18)12(13,14)15/h9,18H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyKTVXNZMUXLYPCM-SECBINFHSA-N
XLogP1.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate
CID 118190458
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
(2S)-2-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 87572620
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63900475
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
tert-butyl N-methyl-N-[2-[methyl-[[(2R)-oxiran-2-yl]methyl]amino]ethyl]carbamate
CID 118190485
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate (CID 118190372) is tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate is CN(CCN(C)C(=O)OC(C)(C)C)C[C@@H](O)C(F)(F)F.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate?
The InChIKey is KTVXNZMUXLYPCM-SECBINFHSA-N. The full InChI is InChI=1S/C12H23F3N2O3/c1-11(2,3)20-10(19)17(5)7-6-16(4)8-9(18)12(13,14)15/h9,18H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate has a molecular weight of 300.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate is sourced from PubChem (CID 118190372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).