Chemical ID: 6632119

CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2O)O
Chemical ID:
6632119
Name [?]:
4-butoxy-N-[(2,4-dihydroxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2O)O
InChi [?]:
InChI=1/C20H23N3O5/c1-2-3-10-28-17-8-5-14(6-9-17)20(27)21-13-19(26)23-22-12-15-4-7-16(24)11-18(15)25/h4-9,11-12,24-25H,2-3,10,13H2,1H3,(H,21,27)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,22,8,10,23,7,11,4,25,20,15,9,21,24,6,26,16,12,14,19,18,28,27,17,13,5/E:(5,6)(8,9)/rA:28nCCCCOCCCCCCCONCCONNCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.49653
Area:653.354
Solvation:-6.83732
Coulombic:-79.3437
Bond Count [?]
All:29
Single:20
Double:9
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:385.414
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:3.62
LogP (Chemaxon):2.55

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