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76805-48-6 | Benzeneacetamide, 4-(2-hydroxy-3-((1-methyl-3-phenylpropyl)amino)propoxy)-
CAS No: 76805-48-6 Catalog No: AG005I8F MDL No:
Product Description
Catalog Number:
AG005I8F
Chemical Name:
Benzeneacetamide, 4-(2-hydroxy-3-((1-methyl-3-phenylpropyl)amino)propoxy)-
CAS Number:
76805-48-6
Molecular Formula:
C21H28N2O3
Molecular Weight:
356.4586
IUPAC Name:
2-[4-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]phenyl]acetamide
InChI:
InChI=1S/C21H28N2O3/c1-16(7-8-17-5-3-2-4-6-17)23-14-19(24)15-26-20-11-9-18(10-12-20)13-21(22)25/h2-6,9-12,16,19,23-24H,7-8,13-15H2,1H3,(H2,22,25)
InChI Key:
QUGGJYHUFSNFIO-UHFFFAOYSA-N
SMILES:
OC(COc1ccc(cc1)CC(=O)N)CNC(CCc1ccccc1)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.21g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.466g/mol
Monoisotopic Mass:
356.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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