Chemical ID: 7022334

CCN(CC)C(CCCCNC(=O)c1ccccc1)C(=O)NN=Cc2ccc(cc2)OCC
Chemical ID:
7022334
Name [?]:
N-[5-diethylamino-5-[(4-ethoxyphenyl)methyleneaminocarbamoyl]pentyl]benzamide
SMILES [?]:
CCN(CC)C(CCCCNC(=O)c1ccccc1)C(=O)NN=Cc2ccc(cc2)OCC
InChi [?]:
InChI=1/C26H36N4O3/c1-4-30(5-2)24(14-10-11-19-27-25(31)22-12-8-7-9-13-22)26(32)29-28-20-21-15-17-23(18-16-21)33-6-3/h7-9,12-13,15-18,20,24H,4-6,10-11,14,19H2,1-3H3,(H,27,31)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,5,33,2,4,32,17,16,18,8,9,15,19,7,26,30,27,29,10,24,25,14,28,6,12,20,11,23,22,3,13,21,31/E:(1,2)(4,5)(8,9)(12,13)(15,16)(17,18)/rA:33cCCNCCCCCCCNCOCCCCCCCONNCCCCCCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s6;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s28;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H36N4O3
All Atoms:69
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.6859
Area:772.249
Solvation:-6.62032
Coulombic:-54.2204
Bond Count [?]
All:34
Single:25
Double:9
Rotors:16
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:452.589
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.38
LogP (Chemaxon):4.02

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Descriptor Annotations

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