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Chemical ID: 3961185
Chemical ID:
3961185
Name [?]:
ethyl 1-[1-[(2,6-dimethylphenyl)carbamoylamino]cyclohexyl]carbonylpiperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)Nc3c(cccc3C)C
InChi [?]:
InChI=1/C24H35N3O4/c1-4-31-21(28)19-11-15-27(16-12-19)22(29)24(13-6-5-7-14-24)26-23(30)25-20-17(2)9-8-10-18(20)3/h8-10,19H,4-7,11-16H2,1-3H3,(H2,25,26,30)
InChi Info:
AuxInfo=1/1/N:1,30,31,2,17,16,18,27,28,26,7,11,15,19,8,10,29,25,6,24,4,12,21,14,23,20,9,5,13,22,3/E:(2,3)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:31nCCOCOCCCNCCCOCCCCCCNCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s14;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H35N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1713 |
Area: | 616.002 |
Solvation: | -4.22879 |
Coulombic: | -70.0732 |
Bond Count [?]
All: | 33 |
Single: | 27 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 429.553 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.15 |
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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