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Chemical ID: 5895220
Chemical ID:
5895220
Name [?]:
5-cyclohexylcarbonylamino-N-(1-phenylethyl)-2-(1-piperidyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)C4CCCCC4
InChi [?]:
InChI=1/C27H35N3O2/c1-20(21-11-5-2-6-12-21)28-27(32)24-19-23(29-26(31)22-13-7-3-8-14-22)15-16-25(24)30-17-9-4-10-18-30/h2,5-6,11-12,15-16,19-20,22H,3-4,7-10,13-14,17-18H2,1H3,(H,28,32)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,6,30,21,5,7,29,31,20,22,4,8,28,32,15,16,19,23,13,2,3,27,14,12,17,25,10,9,24,18,26,11/E:(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:32cCCCCCCCCNCOCCCCCCNCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s21;s18s22;s14;s24;d25;s25;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H35N3O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.258 |
Area: | 685.005 |
Solvation: | -3.8671 |
Coulombic: | -49.5602 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 433.586 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.9 |
LogP (Chemaxon): | 5.32 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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