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Chemical ID: 4428925
Chemical ID:
4428925
Name [?]:
5-(2-phenylacetyl)amino-2-(1-piperidyl)-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)Cc4ccccc4
InChi [?]:
InChI=1/C27H29N3O2/c1-20-10-12-22(13-11-20)29-27(32)24-19-23(14-15-25(24)30-16-6-3-7-17-30)28-26(31)18-21-8-4-2-5-9-21/h2,4-5,8-15,19H,3,6-7,16-18H2,1H3,(H,28,31)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,30,20,29,31,19,21,28,32,3,7,4,6,14,15,18,22,26,12,2,27,5,13,11,16,24,9,23,8,17,25,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)/rA:32nCCCCCCCNCOCCCCCCNCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s17s21;s13;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H29N3O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3103 |
Area: | 677.304 |
Solvation: | -4.6223 |
Coulombic: | -47.9765 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 427.538 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.29 |
LogP (Chemaxon): | 5.73 |
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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