ChemDB: Chemical Search
Download
Chemical ID: 3939497
Chemical ID:
3939497
Name [?]:
4-cyclohexylcarbonylamino-N-(2-ethoxyphenyl)-piperidine-1-carboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C21H31N3O3/c1-2-27-19-11-7-6-10-18(19)23-21(26)24-14-12-17(13-15-24)22-20(25)16-8-4-3-5-9-16/h6-7,10-11,16-17H,2-5,8-9,12-15H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,7,6,23,27,8,5,15,17,14,18,22,16,9,4,20,11,19,10,13,21,12,3/E:(4,5)(8,9)(12,13)(14,15)/rA:27nCCOCCCCCCNCONCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H31N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6278 |
Area: | 612.422 |
Solvation: | -3.68278 |
Coulombic: | -59.5298 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 373.489 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.35 |
LogP (Chemaxon): | 2.59 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|