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1328653-50-4 | N-[2-(3-methylphenyl)ethyl]-3-(2-oxo-1,2-dihydroquinolin-3-yl)propanamide
CAS No: 1328653-50-4 Catalog No: AG01A3UR MDL No:MFCD16937234
Product Description
Catalog Number:
AG01A3UR
Chemical Name:
N-[2-(3-methylphenyl)ethyl]-3-(2-oxo-1,2-dihydroquinolin-3-yl)propanamide
CAS Number:
1328653-50-4
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
MDL Number:
MFCD16937234
IUPAC Name:
N-[2-(3-methylphenyl)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
InChI:
InChI=1S/C21H22N2O2/c1-15-5-4-6-16(13-15)11-12-22-20(24)10-9-18-14-17-7-2-3-8-19(17)23-21(18)25/h2-8,13-14H,9-12H2,1H3,(H,22,24)(H,23,25)
InChI Key:
SESBGWPELNSJLD-UHFFFAOYSA-N
SMILES:
O=C(CCc1cc2ccccc2[nH]c1=O)NCCc1cccc(c1)C
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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