ChemDB: Chemical Search
Download
Chemical ID: 5909204
Chemical ID:
5909204
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-(2-methoxyethyl)-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(CCc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C30H38N2O4/c1-3-4-6-10-26-14-16-27(17-15-26)30(34)32(20-22-35-2)24-29(33)31(23-28-13-9-21-36-28)19-18-25-11-7-5-8-12-25/h5,7-9,11-17,21H,3-4,6,10,18-20,22-24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,3,28,4,27,29,34,5,26,30,33,7,11,8,10,24,23,15,35,16,31,19,25,6,9,32,20,12,22,14,21,13,17,36/E:(7,8)(11,12)(14,15)(16,17)/rA:36nCCCCCCCCCCCCONCCOCCCONCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s22;s31;d32;s33;d34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.842 |
Area: | 758.655 |
Solvation: | -5.1244 |
Coulombic: | -52.452 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 490.634 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.58 |
LogP (Chemaxon): | 5.0 |
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 |
---|