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886362-47-6 | Carbamic acid,[[3-[[(4-hydroxyphenyl)acetyl]amino]phenyl]methyl]-, 1,1-dimethylethyl ester(9CI)
CAS No: 886362-47-6 Catalog No: AG004BGQ MDL No:
Product Description
Catalog Number:
AG004BGQ
Chemical Name:
Carbamic acid,[[3-[[(4-hydroxyphenyl)acetyl]amino]phenyl]methyl]-, 1,1-dimethylethyl ester(9CI)
CAS Number:
886362-47-6
Molecular Formula:
C20H24N2O4
Molecular Weight:
356.4156
IUPAC Name:
tert-butyl N-[[3-[[2-(4-hydroxyphenyl)acetyl]amino]phenyl]methyl]carbamate
InChI:
InChI=1S/C20H24N2O4/c1-20(2,3)26-19(25)21-13-15-5-4-6-16(11-15)22-18(24)12-14-7-9-17(23)10-8-14/h4-11,23H,12-13H2,1-3H3,(H,21,25)(H,22,24)
InChI Key:
NSCBNDOWXXIPRH-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccc(cc1)O)Nc1cccc(c1)CNC(=O)OC(C)(C)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.422g/mol
Monoisotopic Mass:
356.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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