ChemDB: Chemical Search
Download
Chemical ID: 4783354
Chemical ID:
4783354
Name [?]:
2-methyl-5-phenyl-N-(4-tert-butylphenyl)-furan-3-carboxamide
SMILES [?]:
Cc1c(cc(o1)c2ccccc2)C(=O)Nc3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C22H23NO2/c1-15-19(14-20(25-15)16-8-6-5-7-9-16)21(24)23-18-12-10-17(11-13-18)22(2,3)4/h5-14H,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,10,9,11,8,12,18,20,17,21,4,2,7,19,16,3,5,13,22,15,14,6/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:25nCCCCCOCCCCCCCONCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;d7s11;s3;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4702 |
Area: | 566.71 |
Solvation: | -2.69755 |
Coulombic: | -31.1658 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.6 |
LogP (Chemaxon): | 5.38 |
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 |
---|