Chemical ID: 5523740

CCOc1ccc(cc1)Oc2ccc(cc2)NC(=O)CC(C)(C)C
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

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