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Chemical ID: 4216452
Chemical ID:
4216452
Name [?]:
N-[1-(1-adamantyl)ethyl]-4-amino-benzamide
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)c4ccc(cc4)N
InChi [?]:
InChI=1/C19H26N2O/c1-12(21-18(22)16-2-4-17(20)5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11,20H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,21,18,20,6,9,11,8,4,12,2,7,5,10,16,19,14,3,22,13,15/E:(2,3)(4,5)(6,7,8)(9,10,11)(13,14,15)/rA:22cCCCCCCCCCCCCNCOCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3857 |
Area: | 481.075 |
Solvation: | -1.64122 |
Coulombic: | -40.3048 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.423 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 4.75 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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