Chemical ID: 5375120

CCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)OC)NC(=O)c3cccc(c3)OC
Chemical ID:
5375120
Name [?]:
N-[(4-butoxy-3-methoxy-phenyl)-(3-methoxybenzoyl)amino-methyl]-3-methoxy-benzamide
SMILES [?]:
CCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)OC)NC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C28H32N2O6/c1-5-6-15-36-24-14-13-19(18-25(24)35-4)26(29-27(31)20-9-7-11-22(16-20)33-2)30-28(32)21-10-8-12-23(17-21)34-3/h7-14,16-18,26H,5-6,15H2,1-4H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,25,36,13,2,3,20,31,19,30,21,32,8,7,4,23,34,10,9,18,29,22,33,6,11,14,16,27,15,26,17,28,24,35,12,5/E:(2,3)(7,8)(9,10)(11,12)(16,17)(20,21)(22,23)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:36nCCCCOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s14;s26;d27;s27;s29;d30;s31;d32;d29s33;s33;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H32N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:9.8135
Area:777.796
Solvation:-9.63141
Coulombic:-72.5826
Bond Count [?]
All:38
Single:27
Double:11
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:492.564
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:5.34
LogP (Chemaxon):4.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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