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Chemical ID: 4554559
Chemical ID:
4554559
Name [?]:
4-methoxy-N-[6-(4-methoxybenzoyl)aminohexyl]benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)NCCCCCCNC(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C22H28N2O4/c1-27-19-11-7-17(8-12-19)21(25)23-15-5-3-4-6-16-24-22(26)18-9-13-20(28-2)14-10-18/h7-14H,3-6,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,14,15,13,16,5,7,22,26,4,8,23,25,12,17,6,21,3,24,9,19,11,18,10,20,2,27/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCOCCCCCCCONCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5189 |
Area: | 680.7 |
Solvation: | -5.49859 |
Coulombic: | -59.3949 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 384.469 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.91 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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