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78150-06-8 | 2-Cyclohexen-1-one,3-[(3-methoxyphenyl)amino]-5,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]-
CAS No: 78150-06-8 Catalog No: AG0054YV MDL No:
Product Description
Catalog Number:
AG0054YV
Chemical Name:
2-Cyclohexen-1-one,3-[(3-methoxyphenyl)amino]-5,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]-
CAS Number:
78150-06-8
Molecular Formula:
C25H32N2O2
Molecular Weight:
392.5338
IUPAC Name:
3-(3-methoxyanilino)-5,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohex-2-en-1-one
InChI:
InChI=1S/C25H32N2O2/c1-25(2)16-23(26-20-11-8-12-21(15-20)29-4)22(24(28)17-25)18-27(3)14-13-19-9-6-5-7-10-19/h5-12,15,26H,13-14,16-18H2,1-4H3
InChI Key:
JYURELZDJNNIIV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC1=C(CN(CCc2ccccc2)C)C(=O)CC(C1)(C)C
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.246g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.543g/mol
Monoisotopic Mass:
392.246g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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