ChemDB: Chemical Search
Download
Chemical ID: 6014464
Chemical ID:
6014464
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-isobutyl-pentanamide
SMILES [?]:
CCCCC(=O)N(CC(C)C)CC(=O)N(Cc1ccccc1)Cc2ccc(o2)C
InChi [?]:
InChI=1/C24H34N2O3/c1-5-6-12-23(27)25(15-19(2)3)18-24(28)26(16-21-10-8-7-9-11-21)17-22-14-13-20(4)29-22/h7-11,13-14,19H,5-6,12,15-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,11,29,2,3,20,19,21,18,22,4,26,25,8,16,23,12,9,27,17,24,5,13,7,15,6,14,28/E:(2,3)(8,9)(10,11)/rA:29nCCCCCONCCCCCCONCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s9;s7;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s15;s23;d24;s25;d26;s24s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3822 |
Area: | 668.015 |
Solvation: | -5.31821 |
Coulombic: | -40.0561 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 398.538 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.78 |
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 |
---|