ChemDB: Chemical Search
Download
Chemical ID: 4284237
Chemical ID:
4284237
Name [?]:
N,N'-bis(3-diethylaminopropyl)terephthalamide
SMILES [?]:
CCN(CC)CCCNC(=O)c1ccc(cc1)C(=O)NCCCN(CC)CC
InChi [?]:
InChI=1/C22H38N4O2/c1-5-25(6-2)17-9-15-23-21(27)19-11-13-20(14-12-19)22(28)24-16-10-18-26(7-3)8-4/h11-14H,5-10,15-18H2,1-4H3,(H,23,27)(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,5,26,28,2,4,25,27,7,22,13,17,14,16,8,21,6,23,12,15,10,18,9,20,3,24,11,19/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)/rA:28nCCNCCCCCNCOCCCCCCCONCCCNCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;s22;s23;s24;s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H38N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.4517 |
Area: | 716.459 |
Solvation: | -3.45979 |
Coulombic: | -54.3733 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 390.563 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.95 |
LogP (Chemaxon): | 1.27 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|