Chemical ID: 6962416

Cc1ccc(c(c1)C)NC(=O)CCCCCCCC(=O)Nc2ccc(cc2C)C
Chemical ID:
6962416
Name [?]:
N,N'-bis(2,4-dimethylphenyl)nonanediamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)CCCCCCCC(=O)Nc2ccc(cc2C)C
InChi [?]:
InChI=1/C25H34N2O2/c1-18-12-14-22(20(3)16-18)26-24(28)10-8-6-5-7-9-11-25(29)27-23-15-13-19(2)17-21(23)4/h12-17H,5-11H2,1-4H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,8,28,15,14,16,13,17,12,18,3,24,4,23,7,26,2,25,6,27,5,22,10,19,9,21,11,20/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/gE:(1,2)/rA:29nCCCCCCCCNCOCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H34N2O2
All Atoms:63
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.9948
Area:701.692
Solvation:-3.54748
Coulombic:-41.3465
Bond Count [?]
All:30
Single:22
Double:8
Rotors:12
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.55
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.75
LogP (Chemaxon):5.25

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Descriptor Annotations

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