Chemical ID: 7491402

CC(C)(C)c1ccc(cc1)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3
Chemical ID:
7491402
Name [?]:
N-phenethyl-2-[2-(4-tert-butylphenoxy)acetyl]amino-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C27H30N2O3/c1-27(2,3)21-13-15-22(16-14-21)32-19-25(30)29-24-12-8-7-11-23(24)26(31)28-18-17-20-9-5-4-6-10-20/h4-16H,17-19H2,1-3H3,(H,28,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,3,4,30,29,31,19,18,28,32,20,17,6,10,7,9,26,25,12,27,5,8,21,16,13,22,2,24,15,14,23,11/E:(1,2,3)(5,6)(9,10)(13,14)(15,16)/rA:32nCCCCCCCCCCOCCONCCCCCCCONCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;s24;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O3
All Atoms:62
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.1993
Area:711.995
Solvation:-4.60055
Coulombic:-53.7182
Bond Count [?]
All:34
Single:23
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:430.539
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.19
LogP (Chemaxon):6.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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