Chemical ID: 7038292

CCCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
Chemical ID:
7038292
Name [?]:
4-methoxy-N-[(4-methoxybenzoyl)amino-(3-methoxy-4-pentoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C29H34N2O6/c1-5-6-7-18-37-25-17-12-22(19-26(25)36-4)27(30-28(32)20-8-13-23(34-2)14-9-20)31-29(33)21-10-15-24(35-3)16-11-21/h8-17,19,27H,5-7,18H2,1-4H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,26,37,14,2,3,4,20,24,31,35,9,21,23,32,34,8,5,11,19,30,10,22,33,7,12,15,17,28,16,27,18,29,25,36,13,6/E:(2,3)(8,9,10,11)(13,14,15,16)(20,21)(23,24)(28,29)(30,31)(32,33)(34,35)/gE:(1,2)/rA:37nCCCCCOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s15;s27;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34N2O6
All Atoms:71
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:10.8436
Area:806.369
Solvation:-9.31565
Coulombic:-73.3209
Bond Count [?]
All:39
Single:28
Double:11
Rotors:15
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:506.59
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:5.9
LogP (Chemaxon):4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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