ChemDB: Chemical Search
Download
Chemical ID: 4148226
Chemical ID:
4148226
Name [?]:
cyclohexyl 4-(2-methoxybenzoyl)aminobenzoate
SMILES [?]:
COc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OC3CCCCC3
InChi [?]:
InChI=1/C21H23NO4/c1-25-19-10-6-5-9-18(19)20(23)22-16-13-11-15(12-14-16)21(24)26-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,6,5,22,26,7,4,14,16,13,17,15,12,21,8,3,9,18,11,10,19,2,20/E:(3,4)(7,8)(11,12)(13,14)/rA:26nCOCCCCCCCONCCCCCCCOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0738 |
Area: | 580.023 |
Solvation: | -4.42673 |
Coulombic: | -49.4635 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.67 |
LogP (Chemaxon): | 3.98 |
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 |
---|