Chemical ID: 7000275

Cc1cccc(c1)NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3
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

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Descriptor Annotations

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