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Chemical ID: 7500179
Chemical ID:
7500179
Name [?]:
N-(3-acetylphenyl)-2-(4-isopropylphenoxy)-propanamide
SMILES [?]:
CC(C)c1ccc(cc1)OC(C)C(=O)Nc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C20H23NO3/c1-13(2)16-8-10-19(11-9-16)24-15(4)20(23)21-18-7-5-6-17(12-18)14(3)22/h5-13,15H,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,24,12,18,19,17,5,9,6,8,21,2,22,11,4,20,16,7,13,15,23,14,10/E:(1,2)(8,9)(10,11)/rA:24cCCCCCCCCCOCCCONCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO3 |
All Atoms: | 47 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.01048 |
Area: | 561.147 |
Solvation: | -5.01821 |
Coulombic: | -37.0369 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 325.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.45 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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