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Chemical ID: 4273379
Chemical ID:
4273379
Name [?]:
N,N'-bis(4-carbamoylphenyl)hexanediamide
SMILES [?]:
c1cc(ccc1C(=O)N)NC(=O)CCCCC(=O)Nc2ccc(cc2)C(=O)N
InChi [?]:
InChI=1/C20H22N4O4/c21-19(27)13-5-9-15(10-6-13)23-17(25)3-1-2-4-18(26)24-16-11-7-14(8-12-16)20(22)28/h5-12H,1-4H2,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:14,15,13,16,1,5,22,24,2,4,21,25,6,23,3,20,11,17,7,26,9,28,10,19,12,18,8,27/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)/gE:(1,2)(3,4)/rA:28nCCCCCCCONNCOCCCCCONCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N4O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7188 |
Area: | 644.403 |
Solvation: | -5.39131 |
Coulombic: | -90.7462 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 382.413 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 8 |
XLogP: | 0.49 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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