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Chemical ID: 5523740
Chemical ID:
5523740
Name [?]:
N-[4-(4-ethoxyphenoxy)phenyl]-3,3-dimethyl-butanamide
SMILES [?]:
CCOc1ccc(cc1)Oc2ccc(cc2)NC(=O)CC(C)(C)C
InChi [?]:
InChI=1/C20H25NO3/c1-5-23-16-10-12-18(13-11-16)24-17-8-6-15(7-9-17)21-19(22)14-20(2,3)4/h6-13H,5,14H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,2,13,15,12,16,5,9,6,8,20,14,4,11,7,18,21,17,19,3,10/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:24nCCOCCCCCCOCCCCCCNCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0132 |
Area: | 555.777 |
Solvation: | -3.88119 |
Coulombic: | -35.9329 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 327.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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