Chemical ID: 6497039

c1ccc(c(c1)C(=O)NC2CCCCCCCCCCC2)C(=O)O
Chemical ID:
6497039
Name [?]:
2-(cyclododecylcarbamoyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCCCCCCCCCC2)C(=O)O
InChi [?]:
InChI=1/C20H29NO3/c22-19(17-14-10-11-15-18(17)20(23)24)21-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16H,1-9,12-13H2,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:16,15,17,14,18,13,19,12,20,1,2,11,21,6,3,10,5,4,7,22,9,8,23,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(23,24)/rA:24nCCCCCCCONCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s10s20;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.76935
Area:501.765
Solvation:-2.77478
Coulombic:-51.3837
Bond Count [?]
All:25
Single:20
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.449
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.28
LogP (Chemaxon):4.42

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