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Chemical ID: 7000275
Chemical ID:
7000275
Name [?]:
2-[2-(1-adamantyl)acetyl]amino-N-(m-tolyl)acetamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C21H28N2O2/c1-14-3-2-4-18(5-14)23-20(25)13-22-19(24)12-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,7,19,22,24,21,17,25,15,11,2,20,18,23,6,13,9,16,12,8,14,10/E:(6,7,8)(9,10,11)(15,16,17)/rA:25nCCCCCCCNCOCNCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s20;s22;s18s23;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2O2 |
All Atoms: | 53 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9348 |
Area: | 543.262 |
Solvation: | -2.64677 |
Coulombic: | -42.3374 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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