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Chemical ID: 6199361
Chemical ID:
6199361
Name [?]:
4-methyl-N-[3-methyl-1-[(4-methylcyclohexyl)carbamoyl]butyl]-cyclohexane-1-carboxamide
SMILES [?]:
CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2CCC(CC2)C
InChi [?]:
InChI=1/C21H38N2O2/c1-14(2)13-19(21(25)22-18-11-7-16(4)8-12-18)23-20(24)17-9-5-15(3)6-10-17/h14-19H,5-13H2,1-4H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:14,15,1,25,3,7,21,23,4,6,20,24,12,13,2,22,5,19,11,8,16,18,10,9,17/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:25cCCCCCCCCONCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;s13;s13;s11;d16;s16;s18;s19;s20;s21;s22;s19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H38N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8368 |
Area: | 593.355 |
Solvation: | -1.99702 |
Coulombic: | -45.0265 |
Bond Count [?]
All: | 26 |
Single: | 24 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.539 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.6 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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