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Chemical ID: 5874269
Chemical ID:
5874269
Name [?]:
3-(benzyl-(o-tolylcarbamoyl)amino)-N-(1-phenylethyl)propanamide
SMILES [?]:
Cc1ccccc1NC(=O)N(CCC(=O)NC(C)c2ccccc2)Cc3ccccc3
InChi [?]:
InChI=1/C26H29N3O2/c1-20-11-9-10-16-24(20)28-26(31)29(19-22-12-5-3-6-13-22)18-17-25(30)27-21(2)23-14-7-4-8-15-23/h3-16,21H,17-19H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,18,29,22,28,30,21,23,4,5,3,27,31,20,24,6,13,12,25,2,17,26,19,7,14,9,16,8,11,15,10/E:(5,6)(7,8)(12,13)(14,15)/rA:31cCCCCCCCNCONCCCONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;s17;s17;s19;d20;s21;d22;d19s23;s11;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5639 |
Area: | 683.665 |
Solvation: | -3.52774 |
Coulombic: | -54.2567 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 415.527 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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