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Chemical ID: 4161228
Chemical ID:
4161228
Name [?]:
N-(4-butylphenyl)-4-[(4-ethoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C27H30N2O4/c1-3-5-6-20-7-11-23(12-8-20)29-27(31)21-9-15-25(16-10-21)33-19-26(30)28-22-13-17-24(18-14-22)32-4-2/h7-18H,3-6,19H2,1-2H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,33,2,32,3,4,6,10,15,19,7,9,26,30,16,18,27,29,21,5,14,25,8,28,17,22,12,24,11,23,13,31,20/E:(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:33nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3642 |
Area: | 748.018 |
Solvation: | -6.3363 |
Coulombic: | -57.9863 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 446.538 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.02 |
LogP (Chemaxon): | 5.68 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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