Chemical ID: 6962048

Cc1ccccc1C(=O)N(CCN(Cc2ccccc2)C(=O)c3ccccc3C)Cc4ccccc4
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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