Chemical ID: 7038002

CCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
Chemical ID:
7038002
Name [?]:
N-[(4-butoxy-3-methoxy-phenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
CCCCOc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C28H32N2O4/c1-5-6-17-34-24-16-15-23(18-25(24)33-4)26(29-27(31)21-11-7-19(2)8-12-21)30-28(32)22-13-9-20(3)10-14-22/h7-16,18,26H,5-6,17H2,1-4H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,24,34,13,2,3,20,22,30,32,19,23,29,33,8,7,4,10,21,31,18,28,9,6,11,14,16,26,15,25,17,27,12,5/E:(2,3)(7,8,9,10)(11,12,13,14)(19,20)(21,22)(27,28)(29,30)(31,32)/gE:(1,2)/rA:34nCCCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s14;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H32N2O4
All Atoms:66
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.127
Area:748.714
Solvation:-6.59089
Coulombic:-60.5217
Bond Count [?]
All:36
Single:25
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:460.565
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.38
LogP (Chemaxon):5.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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