ChemDB: Chemical Search
Download
Chemical ID: 6146992
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|