Chemical ID: 5363284

CCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
Chemical ID:
5363284
Name [?]:
N-[(4-butoxy-3-methoxy-phenyl)-(4-methoxybenzoyl)amino-methyl]-4-methoxy-benzamide
SMILES [?]:
CCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C28H32N2O6/c1-5-6-17-36-24-16-11-21(18-25(24)35-4)26(29-27(31)19-7-12-22(33-2)13-8-19)30-28(32)20-9-14-23(34-3)15-10-20/h7-16,18,26H,5-6,17H2,1-4H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,25,36,13,2,3,19,23,30,34,8,20,22,31,33,7,4,10,18,29,9,21,32,6,11,14,16,27,15,26,17,28,24,35,12,5/E:(2,3)(7,8,9,10)(12,13,14,15)(19,20)(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;s21;s24;s14;s26;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H32N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:10.1795
Area:778.871
Solvation:-9.29224
Coulombic:-73.0167
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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