ChemDB: Chemical Search
Download
Chemical ID: 4348473
Chemical ID:
4348473
Name [?]:
4-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]benzamide
SMILES [?]:
CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)C(=O)N
InChi [?]:
InChI=1/C20H23N3O2/c1-13(2)15-6-5-7-16(12-15)20(3,4)23-19(25)22-17-10-8-14(9-11-17)18(21)24/h5-12H,1H2,2-4H3,(H2,21,24)(H2,22,23,25)
InChi Info:
AuxInfo=1/1/N:3,1,11,12,6,5,7,19,21,18,22,9,2,20,4,8,17,23,14,10,25,16,13,24,15/E:(3,4)(8,9)(10,11)/rA:25nCCCCCCCCCCCCNCONCCCCCCCON/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s10;s10;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3785 |
Area: | 570.384 |
Solvation: | -2.88111 |
Coulombic: | -63.2714 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.416 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.07 |
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 |
---|