Chemical ID: 4149586

CC(C)OC(=O)c1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OC
Chemical ID:
4149586
Name [?]:
isopropyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoate
SMILES [?]:
CC(C)OC(=O)c1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C21H23NO5/c1-14(2)27-21(24)16-7-9-17(10-8-16)22-20(23)12-6-15-5-11-18(25-3)19(13-15)26-4/h5-14H,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,27,25,19,17,8,12,9,11,20,16,23,2,18,7,10,21,22,14,5,13,15,6,26,24,4/E:(1,2)(7,8)(9,10)/rA:27nCCCOCOCCCCCCNCOCCCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.84189
Area:606.144
Solvation:-6.31171
Coulombic:-55.4037
Bond Count [?]
All:28
Single:19
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:369.411
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.65
LogP (Chemaxon):3.49

Name Annotations

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Descriptor Annotations

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