Chemical ID: 7038046

CC(C)CCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
Chemical ID:
7038046
Name [?]:
N-[(4-isopentyloxy-3-methoxy-phenyl)-(4-methoxybenzoyl)amino-methyl]-4-methoxy-benzamide
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C29H34N2O6/c1-19(2)16-17-37-25-15-10-22(18-26(25)36-5)27(30-28(32)20-6-11-23(34-3)12-7-20)31-29(33)21-8-13-24(35-4)14-9-21/h6-15,18-19,27H,16-17H2,1-5H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,3,26,37,14,20,24,31,35,9,21,23,32,34,8,4,5,11,2,19,30,10,22,33,7,12,15,17,28,16,27,18,29,25,36,13,6/E:(1,2)(3,4)(6,7,8,9)(11,12,13,14)(20,21)(23,24)(28,29)(30,31)(32,33)(34,35)/gE:(1,2)/rA:37nCCCCCOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s2;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:10.6584
Area:797.342
Solvation:-9.27513
Coulombic:-73.2966
Bond Count [?]
All:39
Single:28
Double:11
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:506.59
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:5.84
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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