Chemical ID: 5874125

CCCN(CCC(=O)N(CCc1ccccc1)Cc2ccccc2)C(=O)Nc3ccc(cc3)CC
Chemical ID:
5874125
Name [?]:
N-benzyl-3-[(4-ethylphenyl)carbamoyl-propyl-amino]-N-phenethyl-propanamide
SMILES [?]:
CCCN(CCC(=O)N(CCc1ccccc1)Cc2ccccc2)C(=O)Nc3ccc(cc3)CC
InChi [?]:
InChI=1/C30H37N3O2/c1-3-21-32(30(35)31-28-17-15-25(4-2)16-18-28)23-20-29(34)33(24-27-13-9-6-10-14-27)22-19-26-11-7-5-8-12-26/h5-18H,3-4,19-24H2,1-2H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,35,2,34,15,22,14,16,21,23,13,17,20,24,30,32,29,33,11,6,3,10,5,18,31,12,19,28,7,25,27,4,9,8,26/E:(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:35nCCCNCCCONCCCCCCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;s19;d20;s21;d22;d19s23;s4;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H37N3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:15.805
Area:778.986
Solvation:-3.66964
Coulombic:-50.3732
Bond Count [?]
All:37
Single:26
Double:11
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:471.634
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.79
LogP (Chemaxon):6.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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