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Chemical ID: 6876169
Chemical ID:
6876169
Name [?]:
N-(4-butylphenyl)-4-[(2,5-dimethylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3C)C
InChi [?]:
InChI=1/C27H30N2O3/c1-4-5-6-21-9-13-23(14-10-21)28-27(31)22-11-15-24(16-12-22)32-18-26(30)29-25-17-19(2)7-8-20(25)3/h7-17H,4-6,18H2,1-3H3,(H,28,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,32,31,2,3,4,28,29,6,10,15,19,7,9,16,18,26,21,27,30,5,14,8,17,25,22,12,11,24,23,13,20/E:(9,10)(11,12)(13,14)(15,16)/rA:32nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCCC/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;s30;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O3 |
All Atoms: | 62 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9083 |
Area: | 723.301 |
Solvation: | -5.17422 |
Coulombic: | -51.2675 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 430.539 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.35 |
LogP (Chemaxon): | 5.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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