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Chemical ID: 5837708
Chemical ID:
5837708
Name [?]:
2-(3-butoxypropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILES [?]:
CCCCOCCCNC(=O)C1CCCCC1C(=O)O
InChi [?]:
InChI=1/C15H27NO4/c1-2-3-10-20-11-6-9-16-14(17)12-7-4-5-8-13(12)15(18)19/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,14,15,7,13,16,8,4,6,12,17,10,18,9,11,19,20,5/E:(18,19)/rA:20cCCCCOCCCNCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H27NO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.36798 |
Area: | 517.017 |
Solvation: | -4.55744 |
Coulombic: | -54.0291 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 285.379 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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