ChemDB: Chemical Search
Download
Chemical ID: 4228403
Chemical ID:
4228403
Name [?]:
N-phenyl-2-[3-(phenylcarbamoylmethyl)-1-adamantyl]-acetamide
SMILES [?]:
c1ccc(cc1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)CC(=O)Nc5ccccc5
InChi [?]:
InChI=1/C26H30N2O2/c29-23(27-21-7-3-1-4-8-21)16-25-12-19-11-20(13-25)15-26(14-19,18-25)17-24(30)28-22-9-5-2-6-10-22/h1-10,19-20H,11-18H2,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,28,2,6,27,29,3,5,26,30,14,12,16,19,17,10,21,20,13,15,4,25,8,22,11,18,7,24,9,23/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13,14,15)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCCCCCCNCOCCCCCCCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;s18;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7104 |
Area: | 605.708 |
Solvation: | -3.43227 |
Coulombic: | -42.0411 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 402.529 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.08 |
LogP (Chemaxon): | 4.97 |
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 |
---|