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Chemical ID: 4109533
Chemical ID:
4109533
Name [?]:
3-(4-ethoxy-3-methoxy-phenyl)-N-[4-(1-piperidyl)phenyl]-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1OC)C=CC(=O)Nc2ccc(cc2)N3CCCCC3
InChi [?]:
InChI=1/C23H28N2O3/c1-3-28-21-13-7-18(17-22(21)27-2)8-14-23(26)24-19-9-11-20(12-10-19)25-15-5-4-6-16-25/h7-14,17H,3-6,15-16H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,11,2,26,25,27,6,12,18,22,19,21,5,13,24,28,8,7,17,20,4,9,14,16,23,15,10,3/E:(5,6)(9,10)(11,12)(15,16)/rA:28nCCOCCCCCCOCCCCONCCCCCCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14115 |
Area: | 613.652 |
Solvation: | -6.20014 |
Coulombic: | -41.6737 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.48 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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