Chemical ID: 5238961

CN(C)C(=O)COc1cc2c(cc1Cc3ccc(cc3)OC)OCO2
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

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Descriptor Annotations

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