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Chemical ID: 4510728
Chemical ID:
4510728
Name [?]:
N-(3,4-dimethoxyphenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H23NO4/c1-13(2)14-5-8-16(9-6-14)24-12-19(21)20-15-7-10-17(22-3)18(11-15)23-4/h5-11,13H,12H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,24,22,5,9,16,6,8,17,20,11,2,4,15,7,18,19,12,14,13,23,21,10/E:(1,2)(5,6)(8,9)/rA:24nCCCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75481 |
Area: | 562.288 |
Solvation: | -7.30239 |
Coulombic: | -42.1882 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 329.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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