Chemical ID: 5975996

CCCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NC3CCCCC3)N(C)C
Chemical ID:
5975996
Name [?]:
N-cyclohexyl-2-dimethylamino-5-(4-hexylbenzoyl)amino-benzamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NC3CCCCC3)N(C)C
InChi [?]:
InChI=1/C28H39N3O2/c1-4-5-6-8-11-21-14-16-22(17-15-21)27(32)30-24-18-19-26(31(2)3)25(20-24)28(33)29-23-12-9-7-10-13-23/h14-20,23H,4-13H2,1-3H3,(H,29,33)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,32,33,2,3,4,28,5,27,29,6,26,30,8,12,9,11,17,18,21,7,10,25,16,20,19,13,22,24,15,31,14,23/E:(2,3)(9,10)(12,13)(14,15)(16,17)/rA:33nCCCCCCCCCCCCCONCCCCCCCONCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s24;s25;s26;s27;s28;s25s29;s19;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H39N3O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:15.1236
Area:753.924
Solvation:-3.72451
Coulombic:-51.4857
Bond Count [?]
All:35
Single:27
Double:8
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:449.628
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:7.61
LogP (Chemaxon):6.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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