ChemDB: Chemical Search
Download
Chemical ID: 5381622
Chemical ID:
5381622
Name [?]:
2-naphthylcarbamoylmethyl 4-pentoxybenzoate
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc3ccccc3c2
InChi [?]:
InChI=1/C24H25NO4/c1-2-3-6-15-28-22-13-10-19(11-14-22)24(27)29-17-23(26)25-21-12-9-18-7-4-5-8-20(18)16-21/h4-5,7-14,16H,2-3,6,15,17H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,25,26,4,24,27,22,9,11,21,8,12,5,29,16,23,10,28,20,7,17,13,19,18,14,6,15/E:(10,11)(13,14)/rA:29nCCCCCOCCCCCCCOOCCONCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s17;s19;s20;d21;s22;s23;d24;s25;d26;d23s27;d20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0638 |
Area: | 665.381 |
Solvation: | -4.57069 |
Coulombic: | -50.3838 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 391.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.8 |
LogP (Chemaxon): | 5.03 |
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 |
---|