Chemical ID: 7038019

Cc1cccc(c1)C(=O)NC(c2ccc(c(c2)OC)OCC(C)C)NC(=O)c3cccc(c3)C
Chemical ID:
7038019
Name [?]:
N-[(4-isobutoxy-3-methoxy-phenyl)-(3-methylbenzoyl)amino-methyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NC(c2ccc(c(c2)OC)OCC(C)C)NC(=O)c3cccc(c3)C
InChi [?]:
InChI=1/C28H32N2O4/c1-18(2)17-34-24-13-12-21(16-25(24)33-5)26(29-27(31)22-10-6-8-19(3)14-22)30-28(32)23-11-7-9-20(4)15-23/h6-16,18,26H,17H2,1-5H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:23,24,1,34,19,4,30,3,31,5,29,13,14,7,33,17,21,22,2,32,12,6,28,15,16,11,8,26,10,25,9,27,18,20/E:(1,2)(3,4)(6,7)(8,9)(10,11)(14,15)(19,20)(22,23)(27,28)(29,30)(31,32)/gE:(1,2)/rA:34cCCCCCCCCONCCCCCCCOCOCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s21;s22;s22;s11;s25;d26;s26;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H32N2O4
All Atoms:66
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.9863
Area:740.672
Solvation:-6.53049
Coulombic:-60.5523
Bond Count [?]
All:36
Single:25
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:460.565
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.11
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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