Chemical ID: 4571097

CC(=O)N(C)CCc1cc2c(c(c1C=CC(=O)c3ccccc3)OC)OCO2
Chemical ID:
4571097
Name [?]:
N-[2-[7-methoxy-6-(3-oxo-3-phenyl-prop-1-enyl)-benzo[1,3]dioxol-5-yl]ethyl]-N-methyl-acetamide
SMILES [?]:
CC(=O)N(C)CCc1cc2c(c(c1C=CC(=O)c3ccccc3)OC)OCO2
InChi [?]:
InChI=1/C22H23NO5/c1-15(24)23(2)12-11-17-13-20-22(28-14-27-20)21(26-3)18(17)9-10-19(25)16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,25,21,20,22,19,23,14,15,7,6,9,27,2,18,8,13,16,10,12,11,4,3,17,24,28,26/E:(5,6)(7,8)/rA:28nCCONCCCCCCCCCCCCOCCCCCCOCOCO/rB:s1;d2;s2;s4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;s12;s24;s11;s26;s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.88424
Area:591.986
Solvation:-5.91539
Coulombic:-48.8225
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:381.422
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.22
LogP (Chemaxon):2.89

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