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113700-85-9 | Benzamide, N,N-dibutyl-2-[3-(3,4-dimethoxyphenyl)-1,3-dioxopropyl]-
CAS No: 113700-85-9 Catalog No: AG0009DL MDL No:
Product Description
Catalog Number:
AG0009DL
Chemical Name:
Benzamide, N,N-dibutyl-2-[3-(3,4-dimethoxyphenyl)-1,3-dioxopropyl]-
CAS Number:
113700-85-9
Molecular Formula:
C26H33NO5
Molecular Weight:
439.5439
IUPAC Name:
N,N-dibutyl-2-[3-(3,4-dimethoxyphenyl)-3-oxopropanoyl]benzamide
InChI:
InChI=1S/C26H33NO5/c1-5-7-15-27(16-8-6-2)26(30)21-12-10-9-11-20(21)23(29)18-22(28)19-13-14-24(31-3)25(17-19)32-4/h9-14,17H,5-8,15-16,18H2,1-4H3
InChI Key:
NEWXKBJYBGHURR-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)c1ccccc1C(=O)CC(=O)c1ccc(c(c1)OC)OC)CCCC
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.236g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.552g/mol
Monoisotopic Mass:
439.236g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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