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Chemical ID: 5845584
Chemical ID:
5845584
Name [?]:
N'-cyclohexyl-N-isopentyl-butanediamide
SMILES [?]:
CC(C)CCNC(=O)CCC(=O)NC1CCCCC1
InChi [?]:
InChI=1/C15H28N2O2/c1-12(2)10-11-16-14(18)8-9-15(19)17-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,19,9,10,4,5,2,14,7,11,6,13,8,12/E:(1,2)(4,5)(6,7)/rA:19nCCCCCNCOCCCONCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H28N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5572 |
Area: | 515.213 |
Solvation: | -2.32313 |
Coulombic: | -41.4111 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 268.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.56 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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