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Chemical ID: 5896749
Chemical ID:
5896749
Name [?]:
5-(butylcarbamoylamino)-N,N-diethyl-2-(1-piperidyl)benzamide
SMILES [?]:
CCCCNC(=O)Nc1ccc(c(c1)C(=O)N(CC)CC)N2CCCCC2
InChi [?]:
InChI=1/C21H34N4O2/c1-4-7-13-22-21(27)23-17-11-12-19(25-14-9-8-10-15-25)18(16-17)20(26)24(5-2)6-3/h11-12,16H,4-10,13-15H2,1-3H3,(H2,22,23,27)
InChi Info:
AuxInfo=1/1/N:1,19,21,2,18,20,3,25,24,26,10,11,4,23,27,14,9,13,12,15,6,5,8,17,22,16,7/E:(2,3)(5,6)(9,10)(14,15)/rA:27nCCCCNCONCCCCCCCONCCCCNCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s17;s20;s12;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H34N4O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2785 |
Area: | 627.366 |
Solvation: | -3.40562 |
Coulombic: | -58.0691 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 374.52 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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