Chemical ID: 6515533

CCCCN(c1ccc(cc1)C(=O)O)C(=O)c2ccc(cc2)C(=O)N(CCCC)c3ccc(cc3)C(=O)O
Chemical ID:
6515533
Name [?]:
4-[butyl-[4-[butyl-(4-carboxyphenyl)-carbamoyl]benzoyl]-amino]benzoic acid
SMILES [?]:
CCCCN(c1ccc(cc1)C(=O)O)C(=O)c2ccc(cc2)C(=O)N(CCCC)c3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C30H32N2O6/c1-3-5-19-31(25-15-11-23(12-16-25)29(35)36)27(33)21-7-9-22(10-8-21)28(34)32(20-6-4-2)26-17-13-24(14-18-26)30(37)38/h7-18H,3-6,19-20H2,1-2H3,(H,35,36)(H,37,38)
InChi Info:
AuxInfo=1/1/N:1,29,2,28,3,27,18,22,19,21,8,10,32,34,7,11,31,35,4,26,17,20,9,33,6,30,15,23,12,36,5,25,16,24,13,14,37,38/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36,37,38)/gE:(1,2)/rA:38nCCCCNCCCCCCCOOCOCCCCCCCONCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s5;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s26;s27;s28;s25;s30;d31;s32;d33;d30s34;s33;d36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H32N2O6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:14.9732
Area:784.379
Solvation:-4.63623
Coulombic:-91.9398
Bond Count [?]
All:40
Single:27
Double:13
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:516.585
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:6.18
LogP (Chemaxon):5.14

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