Chemical ID: 3939488

Cc1cccc(c1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3OC
Chemical ID:
3939488
Name [?]:
4-(3-methylbenzoyl)amino-N,N-bis[4-(3-methylbenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C21H25N3O3/c1-15-6-5-7-16(14-15)20(25)22-17-10-12-24(13-11-17)21(26)23-18-8-3-4-9-19(18)27-2/h3-9,14,17H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,27,22,23,4,3,5,21,24,12,16,13,15,7,2,6,11,20,25,8,17,10,19,14,9,18,26/E:(10,11)(12,13)/rA:27nCCCCCCCCONCCCNCCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2734
Area:600.598
Solvation:-3.74153
Coulombic:-61.2024
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.442
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.17
LogP (Chemaxon):2.57

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Descriptor Annotations

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