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Chemical ID: 5845545
Chemical ID:
5845545
Name [?]:
N-(2,3-dimethylcyclohexyl)-N'-isopentyl-butanediamide
SMILES [?]:
CC1CCCC(C1C)NC(=O)CCC(=O)NCCC(C)C
InChi [?]:
InChI=1/C17H32N2O2/c1-12(2)10-11-18-16(20)8-9-17(21)19-15-7-5-6-13(3)14(15)4/h12-15H,5-11H2,1-4H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:20,21,1,8,4,3,5,13,12,18,17,19,2,7,6,14,10,16,9,15,11/E:(1,2)/rA:21cCCCCCCCCNCOCCCONCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H32N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.3992 |
Area: | 548.499 |
Solvation: | -2.31324 |
Coulombic: | -42.0255 |
Bond Count [?]
All: | 21 |
Single: | 19 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 296.448 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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