Chemical ID: 5837708

CCCCOCCCNC(=O)C1CCCCC1C(=O)O
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

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Descriptor Annotations

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