Chemical ID: 4344139

CCCCN(CCCC)C(=O)C1CC=CCC1C(=O)O
Chemical ID:
4344139
Name [?]:
6-(dibutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
CCCCN(CCCC)C(=O)C1CC=CCC1C(=O)O
InChi [?]:
InChI=1/C16H27NO3/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16(19)20/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,3,7,14,15,13,16,4,6,12,17,10,18,5,11,19,20/E:(1,2)(3,4)(5,6)(11,12)(19,20)/rA:20cCCCCNCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;s12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:9.58517
Area:489.271
Solvation:-2.6466
Coulombic:-43.6715
Bond Count [?]
All:20
Single:17
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:281.391
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):2.82

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