tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate

C14H27F3N2O3 — CID 144867797

IUPACtert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate
SMILESCN(CCCOCC(F)(F)F)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27F3N2O3/c1-13(2,3)22-12(20)19(5)9-8-18(4)7-6-10-21-11-14(15,16)17/h6-11H2,1-5H3
InChIKeyQLIFLQIKLCPTFA-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.75
Rot. Bonds8

About tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate (PubChem CID 144867797) has the molecular formula C14H27F3N2O3 and a molecular weight of 328.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate
PubChem CID144867797
Molecular FormulaC14H27F3N2O3
Molecular Weight328.38 g/mol
Exact Mass328.20
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate
SMILESCN(CCCOCC(F)(F)F)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27F3N2O3/c1-13(2,3)22-12(20)19(5)9-8-18(4)7-6-10-21-11-14(15,16)17/h6-11H2,1-5H3
InChIKeyQLIFLQIKLCPTFA-UHFFFAOYSA-N
XLogP2.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate (CID 144867797) is tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate is CN(CCCOCC(F)(F)F)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate?
The InChIKey is QLIFLQIKLCPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O3/c1-13(2,3)22-12(20)19(5)9-8-18(4)7-6-10-21-11-14(15,16)17/h6-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate has a molecular weight of 328.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethyl]carbamate is sourced from PubChem (CID 144867797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).