Chemical ID: 7038000

CCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2C)NC(=O)c3ccccc3C
Chemical ID:
7038000
Name [?]:
N-[(4-butoxy-3-methoxy-phenyl)-(2-methylbenzoyl)amino-methyl]-2-methyl-benzamide
SMILES [?]:
CCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2C)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C28H32N2O4/c1-5-6-17-34-24-16-15-21(18-25(24)33-4)26(29-27(31)22-13-9-7-11-19(22)2)30-28(32)23-14-10-8-12-20(23)3/h7-16,18,26H,5-6,17H2,1-4H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,24,34,13,2,3,21,31,20,30,22,32,19,29,8,7,4,10,23,33,9,18,28,6,11,14,16,26,15,25,17,27,12,5/E:(2,3)(7,8)(9,10)(11,12)(13,14)(19,20)(22,23)(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;s23;s14;s25;d26;s26;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H32N2O4
All Atoms:66
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.8625
Area:730.237
Solvation:-6.39346
Coulombic:-60.8733
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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Descriptor Annotations

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