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Chemical ID: 4158871
Chemical ID:
4158871
Name [?]:
N-(2,6-diethylphenyl)-4-(phenylcarbamoylmethoxy)benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3)CC
InChi [?]:
InChI=1/C25H26N2O3/c1-3-18-9-8-10-19(4-2)24(18)27-25(29)20-13-15-22(16-14-20)30-17-23(28)26-21-11-6-5-7-12-21/h5-16H,3-4,17H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,2,29,26,25,27,5,4,6,24,28,13,17,14,16,19,3,7,12,23,15,20,8,10,22,9,21,11,18/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(18,19)/rA:30nCCCCCCCCNCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s7;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2293 |
Area: | 659.054 |
Solvation: | -5.24702 |
Coulombic: | -51.0969 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 402.486 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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