Chemical ID: 4190083

COc1cc(cc(c1OC)OC)C(=O)Nc2ccc(cc2)NC(=O)c3ccccc3
Chemical ID:
4190083
Name [?]:
N-(4-benzamidophenyl)-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Nc2ccc(cc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O5/c1-28-19-13-16(14-20(29-2)21(19)30-3)23(27)25-18-11-9-17(10-12-18)24-22(26)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,12,10,28,27,29,26,30,18,20,17,21,4,6,25,5,19,16,3,7,8,23,13,22,15,24,14,2,11,9/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(19,20)(28,29)/rA:30nCOCCCCCCOCOCCONCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.49032
Area:640.972
Solvation:-7.53398
Coulombic:-64.2467
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:406.431
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.88
LogP (Chemaxon):3.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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