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85146-31-2 | Benzenepropanamide, 2,4-diethoxy-5-ethyl-N-(2-phenylethyl)-
CAS No: 85146-31-2 Catalog No: AG004QSA MDL No:
Product Description
Catalog Number:
AG004QSA
Chemical Name:
Benzenepropanamide, 2,4-diethoxy-5-ethyl-N-(2-phenylethyl)-
CAS Number:
85146-31-2
Molecular Formula:
C23H31NO3
Molecular Weight:
369.4971
IUPAC Name:
3-(2,4-diethoxy-5-ethylphenyl)-N-(2-phenylethyl)propanamide
InChI:
InChI=1S/C23H31NO3/c1-4-19-16-20(22(27-6-3)17-21(19)26-5-2)12-13-23(25)24-15-14-18-10-8-7-9-11-18/h7-11,16-17H,4-6,12-15H2,1-3H3,(H,24,25)
InChI Key:
RNRODKBEDTVWCE-UHFFFAOYSA-N
SMILES:
CCOc1cc(OCC)c(cc1CCC(=O)NCCc1ccccc1)CC
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.23g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.505g/mol
Monoisotopic Mass:
369.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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