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Chemical ID: 4243264
Chemical ID:
4243264
Name [?]:
N-[2-(acetyl-(m-tolyl)amino)ethyl]-N-(m-tolyl)acetamide
SMILES [?]:
Cc1cccc(c1)N(CCN(c2cccc(c2)C)C(=O)C)C(=O)C
InChi [?]:
InChI=1/C20H24N2O2/c1-15-7-5-9-19(13-15)21(17(3)23)11-12-22(18(4)24)20-10-6-8-16(2)14-20/h5-10,13-14H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,24,21,4,14,3,15,5,13,9,10,7,17,2,16,22,19,6,12,8,11,23,20/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)/rA:24nCCCCCCCNCCNCCCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s11;d19;s19;s8;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60146 |
Area: | 535.548 |
Solvation: | -3.78725 |
Coulombic: | -30.5965 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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