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Chemical ID: 7493932
Chemical ID:
7493932
Name [?]:
N-(4-benzyloxyphenyl)-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)Nc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C24H25NO3/c1-18(2)22-10-6-7-11-23(22)28-17-24(26)25-20-12-14-21(15-13-20)27-16-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,26,25,27,6,7,24,28,5,8,16,20,17,19,22,11,2,23,15,18,4,9,12,14,13,21,10/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:28nCCCCCCCCCOCCONCCCCCCOCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO3 |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5023 |
Area: | 637.188 |
Solvation: | -5.42739 |
Coulombic: | -38.4134 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.49 |
LogP (Chemaxon): | 5.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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