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Chemical ID: 5238961
Chemical ID:
5238961
Name [?]:
2-[6-[(4-methoxyphenyl)methyl]benzo[1,3]dioxol-5-yl]oxy-N,N-dimethyl-acetamide
SMILES [?]:
CN(C)C(=O)COc1cc2c(cc1Cc3ccc(cc3)OC)OCO2
InChi [?]:
InChI=1/C19H21NO5/c1-20(2)19(21)11-23-16-10-18-17(24-12-25-18)9-14(16)8-13-4-6-15(22-3)7-5-13/h4-7,9-10H,8,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,22,16,20,17,19,14,12,9,6,24,15,13,18,8,11,10,4,2,5,21,7,23,25/E:(1,2)(4,5)(6,7)/rA:25nCNCCOCOCCCCCCCCCCCCCOCOCO/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s11;s23;s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26862 |
Area: | 552.434 |
Solvation: | -6.54223 |
Coulombic: | -46.8321 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 343.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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