Chemical ID: 7020137

CC(C)CCOc1ccc(cc1)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
Chemical ID:
7020137
Name [?]:
N-[benzamido-(4-isopentyloxyphenyl)-methyl]benzamide
SMILES [?]:
CC(C)CCOc1ccc(cc1)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C26H28N2O3/c1-19(2)17-18-31-23-15-13-20(14-16-23)24(27-25(29)21-9-5-3-6-10-21)28-26(30)22-11-7-4-8-12-22/h3-16,19,24H,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,20,29,19,21,28,30,18,22,27,31,9,11,8,12,4,5,2,10,17,26,7,13,15,24,14,23,16,25,6/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(21,22)(25,26)(27,28)(29,30)/gE:(1,2)/rA:31nCCCCCOCCCCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O3
All Atoms:59
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9964
Area:697.938
Solvation:-4.45209
Coulombic:-55.1942
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:416.512
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.37
LogP (Chemaxon):5.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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