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1017781-81-5 | Carbamic acid, N-[[3-[2-(4-methylphenyl)acetyl]phenyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1017781-81-5 Catalog No: AG0005IO MDL No:MFCD09997776
Product Description
Catalog Number:
AG0005IO
Chemical Name:
Carbamic acid, N-[[3-[2-(4-methylphenyl)acetyl]phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1017781-81-5
Molecular Formula:
C21H25NO3
Molecular Weight:
339.4281
MDL Number:
MFCD09997776
IUPAC Name:
tert-butyl N-[[3-[2-(4-methylphenyl)acetyl]phenyl]methyl]carbamate
InChI:
InChI=1S/C21H25NO3/c1-15-8-10-16(11-9-15)13-19(23)18-7-5-6-17(12-18)14-22-20(24)25-21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,24)
InChI Key:
PPRRBVUJKSMSCD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cccc(c1)C(=O)Cc1ccc(cc1)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.183g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.435g/mol
Monoisotopic Mass:
339.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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