Chemical ID: 5892144

c1cc(c(cc1NC(=O)C2CCC2)C(=O)NCC3CCCO3)N4CCCCC4
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

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Descriptor Annotations

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