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Chemical ID: 5388710
Chemical ID:
5388710
Name [?]:
N-[1-[1-(1-adamantyl)ethylcarbamoyl]-2-methyl-propyl]benzamide
SMILES [?]:
CC(C)C(C(=O)NC(C)C12CC3CC(C1)CC(C3)C2)NC(=O)c4ccccc4
InChi [?]:
InChI=1/C24H34N2O2/c1-15(2)21(26-22(27)20-7-5-4-6-8-20)23(28)25-16(3)24-12-17-9-18(13-24)11-19(10-17)14-24/h4-8,15-19,21H,9-14H2,1-3H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,3,9,26,25,27,24,28,13,16,18,15,11,19,2,8,14,12,17,23,4,21,5,10,7,20,22,6/E:(1,2)(5,6)(7,8)(9,10,11)(12,13,14)(17,18,19)/rA:28cCCCCCONCCCCCCCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s8;s10;s11;s12;s13;s10s14;s14;s16;s12s17;s10s17;s4;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.777 |
Area: | 592.662 |
Solvation: | -2.03958 |
Coulombic: | -47.0344 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.539 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.92 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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