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Chemical ID: 6308567
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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