Chemical ID: 6869787

CCCOc1ccc(cc1OC)C=CC(=O)Nc2ccc(cc2)C(=O)OC
Chemical ID:
6869787
Name [?]:
methyl 4-[3-(3-methoxy-4-propoxy-phenyl)prop-2-enoylamino]benzoate
SMILES [?]:
CCCOc1ccc(cc1OC)C=CC(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C21H23NO5/c1-4-13-27-18-11-5-15(14-19(18)25-2)6-12-20(23)22-17-9-7-16(8-10-17)21(24)26-3/h5-12,14H,4,13H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,27,2,7,13,20,22,19,23,6,14,3,9,8,21,18,5,10,15,24,17,16,25,11,26,4/E:(7,8)(9,10)/rA:27nCCCOCCCCCCOCCCCONCCCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO5
All Atoms:50
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.05762
Area:616.318
Solvation:-6.35032
Coulombic:-55.5843
Bond Count [?]
All:28
Single:19
Double:9
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:369.411
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.54
LogP (Chemaxon):3.55

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Descriptor Annotations

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