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Chemical ID: 6510944
Chemical ID:
6510944
Name [?]:
N-[4-[(4-acetamido-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]acetamide
SMILES [?]:
CC1CC(CCC1NC(=O)C)CC2CCC(C(C2)C)NC(=O)C
InChi [?]:
InChI=1/C19H34N2O2/c1-12-9-16(5-7-18(12)20-14(3)22)11-17-6-8-19(13(2)10-17)21-15(4)23/h12-13,16-19H,5-11H2,1-4H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,11,23,5,14,6,15,3,18,12,2,17,9,21,4,13,7,16,8,20,10,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)/gE:(1,2)/rA:23cCCCCCCCNCOCCCCCCCCCNCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s4;s12;s13;s14;s15;s16;s13s17;s17;s16;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H34N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 10.8217 |
Area: | 552.513 |
Solvation: | -2.99115 |
Coulombic: | -41.1082 |
Bond Count [?]
All: | 24 |
Single: | 22 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 322.486 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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