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Chemical ID: 3939506
Chemical ID:
3939506
Name [?]:
N-(4-ethoxyphenyl)-4-(2-methylbenzoyl)amino-piperidine-1-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)N2CCC(CC2)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C22H27N3O3/c1-3-28-19-10-8-17(9-11-19)24-22(27)25-14-12-18(13-15-25)23-21(26)20-7-5-4-6-16(20)2/h4-11,18H,3,12-15H2,1-2H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,28,2,25,24,26,23,6,8,5,9,15,17,14,18,27,7,16,4,22,20,11,19,10,13,21,12,3/E:(8,9)(10,11)(12,13)(14,15)/rA:28nCCOCCCCCCNCONCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4531 |
Area: | 622.106 |
Solvation: | -4.09957 |
Coulombic: | -60.0872 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 381.468 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.59 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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