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Chemical ID: 3939481
Chemical ID:
3939481
Name [?]:
4-(2-methylbenzoyl)amino-N-(m-tolyl)piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N2CCC(CC2)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C21H25N3O2/c1-15-6-5-8-18(14-15)23-21(26)24-12-10-17(11-13-24)22-20(25)19-9-4-3-7-16(19)2/h3-9,14,17H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,26,23,22,4,3,24,5,21,13,15,12,16,7,2,25,14,6,20,18,9,17,8,11,19,10/E:(10,11)(12,13)/rA:26nCCCCCCCNCONCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6306 |
Area: | 578.372 |
Solvation: | -2.82866 |
Coulombic: | -53.5588 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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