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Chemical ID: 4519639
Chemical ID:
4519639
Name [?]:
2-(3-acetylphenoxy)-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
CC(=O)c1cccc(c1)OCC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C17H17NO4/c1-12(19)13-4-3-5-16(10-13)22-11-17(20)18-14-6-8-15(21-2)9-7-14/h3-10H,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,6,5,7,16,20,17,19,9,11,2,4,15,18,8,12,14,3,13,21,10/E:(6,7)(8,9)/rA:22nCCOCCCCCCOCCONCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.33237 |
Area: | 518.979 |
Solvation: | -6.64211 |
Coulombic: | -41.6342 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.43 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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