ChemDB: Chemical Search
Download
Chemical ID: 5909715
Chemical ID:
5909715
Name [?]:
N-allyl-N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-4-tert-butyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC=C)C(=O)c3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C29H34N2O3/c1-6-18-30(28(33)24-13-15-25(16-14-24)29(3,4)5)21-27(32)31(19-23-10-8-7-9-11-23)20-26-17-12-22(2)34-26/h6-17H,1,18-21H2,2-5H3
InChi Info:
AuxInfo=1/0/N:22,1,32,33,34,21,13,12,14,11,15,3,26,30,27,29,4,20,9,7,18,2,10,25,28,5,16,23,31,19,8,17,24,6/E:(3,4,5)(8,9)(10,11)(13,14)(15,16)/rA:34nCCCCCOCNCCCCCCCCOCNCCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;d21;s19;d23;s23;s25;d26;s27;d28;d25s29;s28;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N2O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.8339 |
Area: | 720.409 |
Solvation: | -4.17633 |
Coulombic: | -45.5982 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 458.592 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.67 |
LogP (Chemaxon): | 5.24 |
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 |
---|