Chemical ID: 6146992

CC(C)c1ccccc1NC(=O)COC(=O)C=Cc2ccc(cc2)OC
Chemical ID:
6146992
Name [?]:
(2-isopropylphenyl)carbamoylmethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
CC(C)c1ccccc1NC(=O)COC(=O)C=Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C21H23NO4/c1-15(2)18-6-4-5-7-19(18)22-20(23)14-26-21(24)13-10-16-8-11-17(25-3)12-9-16/h4-13,15H,14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,26,6,7,5,8,20,24,18,21,23,17,13,2,19,22,4,9,11,15,10,12,16,25,14/E:(1,2)(8,9)(11,12)/rA:26nCCCCCCCCCNCOCOCOCCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.90889
Area:590.143
Solvation:-4.8447
Coulombic:-48.8038
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:353.412
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.08
LogP (Chemaxon):3.56

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