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Chemical ID: 6962048
Chemical ID:
6962048
Name [?]:
N-benzyl-N-[2-[benzyl-(2-methylbenzoyl)-amino]ethyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CCN(Cc2ccccc2)C(=O)c3ccccc3C)Cc4ccccc4
InChi [?]:
InChI=1/C32H32N2O2/c1-25-13-9-11-19-29(25)31(35)33(23-27-15-5-3-6-16-27)21-22-34(24-28-17-7-4-8-18-28)32(36)30-20-12-10-14-26(30)2/h3-20H,21-24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,34,18,33,35,17,19,4,26,5,25,3,27,32,36,16,20,6,24,11,12,30,14,2,28,31,15,7,23,8,21,10,13,9,22/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)(29,30)(31,32)(33,34)(35,36)/rA:36nCCCCCCCCONCCNCCCCCCCCOCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s13;d21;s21;s23;d24;s25;d26;d23s27;s28;s10;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H32N2O2 |
All Atoms: | 68 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9202 |
Area: | 683.799 |
Solvation: | -3.17482 |
Coulombic: | -41.4612 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 476.609 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.22 |
LogP (Chemaxon): | 6.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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