Chemical ID: 5874269

Cc1ccccc1NC(=O)N(CCC(=O)NC(C)c2ccccc2)Cc3ccccc3
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

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Descriptor Annotations

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