Chemical ID: 5896586

CCOCCCNC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)NC(=O)c4cccc(c4)Cl
Chemical ID:
5896586
Name [?]:
2-(4-benzyl-1-piperidyl)-5-(3-chlorobenzoyl)amino-N-(3-ethoxypropyl)benzamide
SMILES [?]:
CCOCCCNC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)NC(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C31H36ClN3O3/c1-2-38-19-7-16-33-31(37)28-22-27(34-30(36)25-10-6-11-26(32)21-25)12-13-29(28)35-17-14-24(15-18-35)20-23-8-4-3-5-9-23/h3-6,8-13,21-22,24H,2,7,14-20H2,1H3,(H,33,37)(H,34,36)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,34,5,24,28,33,35,13,14,18,20,6,17,21,4,22,37,11,23,19,32,36,12,10,15,30,8,38,7,29,16,31,9,3/E:(4,5)(8,9)(14,15)(17,18)/rA:38nCCOCCCNCOCCCCCCNCCCCCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;s12;s29;d30;s30;s32;d33;s34;d35;d32s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H36ClN3O3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:15.4607
Area:844.732
Solvation:-5.65762
Coulombic:-58.9961
Bond Count [?]
All:41
Single:30
Double:11
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:534.089
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.64
LogP (Chemaxon):5.68

Name Annotations

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Descriptor Annotations

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