Chemical ID: 5440456

CCc1ccc(cc1)C(=O)NC(Cc2ccccc2)C(=O)NCCc3ccccc3
Chemical ID:
5440456
Name [?]:
4-ethyl-N-[1-(phenethylcarbamoyl)-2-phenyl-ethyl]-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)NC(Cc2ccccc2)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C26H28N2O2/c1-2-20-13-15-23(16-14-20)25(29)28-24(19-22-11-7-4-8-12-22)26(30)27-18-17-21-9-5-3-6-10-21/h3-16,24H,2,17-19H2,1H3,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,28,17,27,29,16,18,26,30,15,19,4,8,5,7,24,23,13,3,25,14,6,12,9,20,22,11,10,21/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:30cCCCCCCCCCONCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s12;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.4524
Area:662.712
Solvation:-3.11541
Coulombic:-47.7053
Bond Count [?]
All:32
Single:21
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:400.513
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.34
LogP (Chemaxon):4.98

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Descriptor Annotations

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