Chemical ID: 6308567

CC(C(=O)Nc1cccc(c1)C(=O)C)Oc2ccc(cc2)C(C)(C)C
Chemical ID:
6308567
Name [?]:
N-(3-acetylphenyl)-2-(4-tert-butylphenoxy)-propanamide
SMILES [?]:
CC(C(=O)Nc1cccc(c1)C(=O)C)Oc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C21H25NO3/c1-14(23)16-7-6-8-18(13-16)22-20(24)15(2)25-19-11-9-17(10-12-19)21(3,4)5/h6-13,15H,1-5H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:14,1,23,24,25,8,9,7,18,20,17,21,11,12,2,10,19,6,16,3,22,5,13,4,15/E:(3,4,5)(9,10)(11,12)/rA:25cCCCONCCCCCCCOCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s2;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.45801
Area:577.494
Solvation:-4.97933
Coulombic:-37.2857
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.428
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.86
LogP (Chemaxon):4.35

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