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Chemical ID: 3943736
Chemical ID:
3943736
Name [?]:
N-[1-[(4-ethoxyphenyl)carbamoylmethyl]-4-piperidyl]cyclohexanecarboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CN2CCC(CC2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C22H33N3O3/c1-2-28-20-10-8-18(9-11-20)23-21(26)16-25-14-12-19(13-15-25)24-22(27)17-6-4-3-5-7-17/h8-11,17,19H,2-7,12-16H2,1H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,24,28,6,8,5,9,16,18,15,19,13,23,7,17,4,11,21,10,20,14,12,22,3/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28nCCOCCCCCCNCOCNCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H33N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1157 |
Area: | 639.224 |
Solvation: | -4.86491 |
Coulombic: | -53.2227 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.516 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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