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Chemical ID: 5258473
Chemical ID:
5258473
Name [?]:
N,N,N',N'-tetraethyl-2,5-dimethoxy-terephthalamide
SMILES [?]:
CCN(CC)C(=O)c1cc(c(cc1OC)C(=O)N(CC)CC)OC
InChi [?]:
InChI=1/C18H28N2O4/c1-7-19(8-2)17(21)13-11-16(24-6)14(12-15(13)23-5)18(22)20(9-3)10-4/h11-12H,7-10H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,5,20,22,15,24,2,4,19,21,9,12,8,11,13,10,6,16,3,18,7,17,14,23/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)/rA:24nCCNCCCOCCCCCCOCCONCCCCOC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s11;d16;s16;s18;s19;s18;s21;s10;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.87 |
Area: | 554.335 |
Solvation: | -5.98838 |
Coulombic: | -46.4856 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 336.426 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.64 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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