DL-tert-Butyl N-[1-(propylcarbamoyl)ethyl]carbamate - CAS 1105627-17-5
Catalog: |
BB071554 |
Product Name: |
DL-tert-Butyl N-[1-(propylcarbamoyl)ethyl]carbamate |
CAS: |
1105627-17-5 |
Synonyms: |
N-[1-Methyl-2-oxo-2-(propylamino)ethyl]-1,1-dimethylethyl Carbamic Acid Ester |
IUPAC Name: | tert-butyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate |
Description: | DL-tert-Butyl N-[1-(propylcarbamoyl)ethyl]carbamate |
Molecular Weight: | 230.3 |
Molecular Formula: | C11H22N2O3 |
Canonical SMILES: | CCCNC(=O)C(C)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C11H22N2O3/c1-6-7-12-9(14)8(2)13-10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15) |
InChI Key: | NIOOIBJUERRSSA-UHFFFAOYSA-N |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.16304257 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.16304257 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 67.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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