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Chemical ID: 4486814
Chemical ID:
4486814
Name [?]:
N,N'-bis[1-(4-methoxyphenyl)ethyl]terephthalamide
SMILES [?]:
CC(c1ccc(cc1)OC)NC(=O)c2ccc(cc2)C(=O)NC(C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C26H28N2O4/c1-17(19-9-13-23(31-3)14-10-19)27-25(29)21-5-7-22(8-6-21)26(30)28-18(2)20-11-15-24(32-4)16-12-20/h5-18H,1-4H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,24,10,32,15,19,16,18,4,8,26,30,5,7,27,29,2,23,3,25,14,17,6,28,12,20,11,22,13,21,9,31/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)/gE:(1,2)/rA:32cCCCCCCCCOCNCOCCCCCCCONCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s2;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;s23;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.0096 |
Area: | 707.934 |
Solvation: | -5.68874 |
Coulombic: | -60.5025 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 432.512 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.13 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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