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Chemical ID: 7298551
Chemical ID:
7298551
Name [?]:
N-(2-acetylphenyl)-4-(2-ethoxyphenoxy)-butanamide
SMILES [?]:
CCOc1ccccc1OCCCC(=O)Nc2ccccc2C(=O)C
InChi [?]:
InChI=1/C20H23NO4/c1-3-24-18-11-6-7-12-19(18)25-14-8-13-20(23)21-17-10-5-4-9-16(17)15(2)22/h4-7,9-12H,3,8,13-14H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,20,19,6,7,12,21,18,5,8,13,11,23,22,17,4,9,14,16,24,15,3,10/rA:25nCCOCCCCCCOCCCCONCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24436 |
Area: | 587.318 |
Solvation: | -6.4386 |
Coulombic: | -42.2494 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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