ChemDB: Chemical Search
Download
Chemical ID: 6617443
Chemical ID:
6617443
Name [?]:
(ethyl-phenyl-carbamoyl)methyl 2-aminobenzoate
SMILES [?]:
CCN(c1ccccc1)C(=O)COC(=O)c2ccccc2N
InChi [?]:
InChI=1/C17H18N2O3/c1-2-19(13-8-4-3-5-9-13)16(20)12-22-17(21)14-10-6-7-11-15(14)18/h3-11H,2,12,18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,18,19,5,9,17,20,12,4,16,21,10,14,22,3,11,15,13/E:(4,5)(8,9)/rA:22nCCNCCCCCCCOCOCOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47318 |
Area: | 510.547 |
Solvation: | -3.29048 |
Coulombic: | -54.105 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 298.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.66 |
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 |
---|