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Chemical ID: 5892144
Chemical ID:
5892144
Name [?]:
5-cyclobutylcarbonylamino-2-(1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)C2CCC2)C(=O)NCC3CCCO3)N4CCCCC4
InChi [?]:
InChI=1/C22H31N3O3/c26-21(16-6-4-7-16)24-17-9-10-20(25-11-2-1-3-12-25)19(14-17)22(27)23-15-18-8-5-13-28-18/h9-10,14,16,18H,1-8,11-13,15H2,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:26,25,27,12,20,11,13,19,1,2,24,28,21,5,17,10,6,18,4,3,8,14,16,7,23,9,15,22/E:(2,3)(6,7)(11,12)/rA:28cCCCCCCNCOCCCCCONCCCCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s10s12;s4;d14;s14;s16;s17;s18;s19;s20;s18s21;s3;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H31N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6182 |
Area: | 624.521 |
Solvation: | -4.99483 |
Coulombic: | -54.7395 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 385.5 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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