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137550-80-2 | Benzamide, 2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-4-methoxy-N-phenyl-, hydrochloride (1:1)
CAS No: 137550-80-2 Catalog No: AG0013JR MDL No:
Product Description
Catalog Number:
AG0013JR
Chemical Name:
Benzamide, 2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-4-methoxy-N-phenyl-, hydrochloride (1:1)
CAS Number:
137550-80-2
Molecular Formula:
C21H29ClN2O4
Molecular Weight:
408.9190
IUPAC Name:
2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methoxy-N-phenylbenzamide;hydrochloride
InChI:
InChI=1S/C21H28N2O4.ClH/c1-21(2,3)22-13-16(24)14-27-19-12-17(26-4)10-11-18(19)20(25)23-15-8-6-5-7-9-15;/h5-12,16,22,24H,13-14H2,1-4H3,(H,23,25);1H
InChI Key:
VVQUDFUCFOPLBD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OCC(CNC(C)(C)C)O)C(=O)Nc1ccccc1.Cl
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.182g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
408.923g/mol
Monoisotopic Mass:
408.182g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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