Chemical ID: 4284237

CCN(CC)CCCNC(=O)c1ccc(cc1)C(=O)NCCCN(CC)CC
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

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Experimental Annotations

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Descriptor Annotations

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