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73571-93-4 | Benzamide,N-[2-hydroxy-3-[methyl(4-methylphenyl)amino]propyl]-3,4,5-trimethoxy-
CAS No: 73571-93-4 Catalog No: AG005COK MDL No:
Product Description
Catalog Number:
AG005COK
Chemical Name:
Benzamide,N-[2-hydroxy-3-[methyl(4-methylphenyl)amino]propyl]-3,4,5-trimethoxy-
CAS Number:
73571-93-4
Molecular Formula:
C21H28N2O5
Molecular Weight:
388.4574
IUPAC Name:
N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]-3,4,5-trimethoxybenzamide
InChI:
InChI=1S/C21H28N2O5/c1-14-6-8-16(9-7-14)23(2)13-17(24)12-22-21(25)15-10-18(26-3)20(28-5)19(11-15)27-4/h6-11,17,24H,12-13H2,1-5H3,(H,22,25)
InChI Key:
PCWPSQANCDQLSP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)NCC(CN(c1ccc(cc1)C)C)O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.2g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.464g/mol
Monoisotopic Mass:
388.2g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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