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101669-45-8 | Carbamic acid, N-[(1S)-3-methyl-1-[[(phenylmethyl)amino]carbonyl]butyl]-, 1,1-dimethylethyl ester
CAS No: 101669-45-8 Catalog No: AG00054Z MDL No:
Product Description
Catalog Number:
AG00054Z
Chemical Name:
Carbamic acid, N-[(1S)-3-methyl-1-[[(phenylmethyl)amino]carbonyl]butyl]-, 1,1-dimethylethyl ester
CAS Number:
101669-45-8
Molecular Formula:
C18H28N2O3
Molecular Weight:
320.4265
IUPAC Name:
N-[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-N-tert-butylcarbamate
InChI:
InChI=1S/C18H28N2O3/c1-13(2)11-15(20(17(22)23)18(3,4)5)16(21)19-12-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3,(H,19,21)(H,22,23)/p-1
InChI Key:
CIQMCAYITWMJAC-UHFFFAOYSA-M
SMILES:
CC(C[C@@H](C(=O)NCc1ccccc1)NC(=O)OC(C)(C)C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.202g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.425g/mol
Monoisotopic Mass:
319.202g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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