ChemDB: Chemical Search
Download
Chemical ID: 6147284
Chemical ID:
6147284
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 3,4-dimethylbenzoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COC(=O)c2ccc(c(c2)C)C)C
InChi [?]:
InChI=1/C19H21NO3/c1-12-5-6-14(3)17(9-12)20-18(21)11-23-19(22)16-8-7-13(2)15(4)10-16/h5-10H,11H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,3,4,17,16,7,20,11,2,18,5,19,15,6,9,13,8,10,14,12/rA:23nCCCCCCCNCOCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4637 |
Area: | 541.641 |
Solvation: | -3.07728 |
Coulombic: | -41.7319 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.89 |
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 |
---|