Chemical ID: 3941155

c1ccc(cc1)CCNC(=O)C2CCCN2C(=O)Nc3ccc(cc3)Cl
Chemical ID:
3941155
Name [?]:
N'-phenethyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)C2CCCN2C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H22ClN3O2/c21-16-8-10-17(11-9-16)23-20(26)24-14-4-7-18(24)19(25)22-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,13,22,24,21,25,7,8,15,4,23,20,12,10,17,26,9,19,16,11,18/E:(2,3)(5,6)(8,9)(10,11)/rA:26cCCCCCCCCNCOCCCCNCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.5704
Area:608.771
Solvation:-3.64891
Coulombic:-53.1093
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.86
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.33
LogP (Chemaxon):3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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