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Chemical ID: 5891808
Chemical ID:
5891808
Name [?]:
5-(2-phenylbutanoylamino)-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)C(CC)c3ccccc3
InChi [?]:
InChI=1/C26H35N3O2/c1-4-19(3)27-26(31)23-18-21(14-15-24(23)29-16-10-7-11-17-29)28-25(30)22(5-2)20-12-8-6-9-13-20/h6,8-9,12-15,18-19,22H,4-5,7,10-11,16-17H2,1-3H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,25,4,2,24,29,17,28,30,16,18,27,31,11,12,15,19,9,3,26,10,23,8,13,21,6,5,20,14,22,7/E:(8,9)(10,11)(12,13)(16,17)/rA:31cCCCCNCOCCCCCCNCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;s24;s23;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H35N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.0407 |
Area: | 679.727 |
Solvation: | -3.95248 |
Coulombic: | -49.5828 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 421.575 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.31 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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