ChemDB: Chemical Search
Download
Chemical ID: 6148261
Chemical ID:
6148261
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(c2ccc(c(c2)OC)OCc3ccccc3)NC(=O)c4ccc(cc4)C
InChi [?]:
InChI=1/C31H30N2O4/c1-21-9-13-24(14-10-21)30(34)32-29(33-31(35)25-15-11-22(2)12-16-25)26-17-18-27(28(19-26)36-3)37-20-23-7-5-4-6-8-23/h4-19,29H,20H2,1-3H3,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,37,19,25,24,26,23,27,3,7,33,35,4,6,32,36,13,14,17,21,2,34,22,5,31,12,15,16,11,8,29,10,28,9,30,18,20/E:(1,2)(5,6)(7,8)(9,10,11,12)(13,14,15,16)(21,22)(24,25)(30,31)(32,33)(34,35)/gE:(1,2)/rA:37nCCCCCCCCONCCCCCCCOCOCCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s21;s22;d23;s24;d25;d22s26;s11;s28;d29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H30N2O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3959 |
Area: | 779.184 |
Solvation: | -7.08372 |
Coulombic: | -61.4934 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 494.581 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.74 |
LogP (Chemaxon): | 6.03 |
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 |
---|