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5-(3,4-dimethoxyphenyl)-3-[(4-ethylphenyl)amino]cyclohex-2-en-1-one

5-(3,4-dimethoxyphenyl)-3-[(4-ethylphenyl)amino]cyclohex-2-en-1-one

Formula: C22H25NO3

SMILES: CCC1=CC=C(NC2=CC(=O)CC(C2)C2=CC=C(OC)C(OC)=C2)C=C1

IUPAC: 5-(3,4-dimethoxyphenyl)-3-[(4-ethylphenyl)amino]cyclohex-2-en-1-one

InChI: InChI=1/C22H25NO3/c1-4-15-5-8-18(9-6-15)23-19-11-17(12-20(24)14-19)16-7-10-21(25-2)22(13-16)26-3/h5-10,13-14,17,23H,4,11-12H2,1-3H3

Composition: C (75.19%), H (7.17%), N (3.99%), O (13.66%)

Molar Mass: 351.446

Atom Count: 51

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 351.183443669
Formal Charge 0
FSP3 0.32
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LSUMEPOWVFYOCV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.59
Topological Polar Surface Area 47.56
Polarizability 39.86
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H25NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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