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Chemical ID: 3939488
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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