ChemDB: Chemical Search
Download
Chemical ID: 4214299
Chemical ID:
4214299
Name [?]:
N'-isopropyl-N-(m-tolyl)oxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)C(=O)NC(C)C
InChi [?]:
InChI=1/C12H16N2O2/c1-8(2)13-11(15)12(16)14-10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:15,16,1,4,3,5,7,14,2,6,11,9,13,8,12,10/E:(1,2)/rA:16nCCCCCCCNCOCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89999 |
Area: | 420.523 |
Solvation: | -1.61307 |
Coulombic: | -47.2379 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 220.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.78 |
LogP (Chemaxon): | 1.9 |
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 |
---|