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1261225-48-2 | Carbamic acid, N-[(1R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexyl]-, phenylmethyl ester
CAS No: 1261225-48-2 Catalog No: AG000RNY MDL No:MFCD30471647
Product Description
Catalog Number:
AG000RNY
Chemical Name:
Carbamic acid, N-[(1R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexyl]-, phenylmethyl ester
CAS Number:
1261225-48-2
Molecular Formula:
C19H28N2O4
Molecular Weight:
348.4366
MDL Number:
MFCD30471647
IUPAC Name:
benzyl N-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
InChI:
InChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)21-16-11-7-10-15(12-16)20-17(22)24-13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3,(H,20,22)(H,21,23)/t15-,16+/m1/s1
InChI Key:
WBCJCRHCNGJQOY-CVEARBPZSA-N
SMILES:
O=C(N[C@@H]1CCC[C@@H](C1)NC(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
348.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.443g/mol
Monoisotopic Mass:
348.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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