ChemDB: Chemical Search
Download
Chemical ID: 7491402
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|