ChemDB: Chemical Search
Download
Chemical ID: 5911108
Chemical ID:
5911108
Name [?]:
N-(2-methoxyethyl)-N-[(5-methyl-2-furyl)methyl]-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCOC)Cc2ccc(o2)C
InChi [?]:
InChI=1/C21H29NO3/c1-4-5-6-7-18-9-11-19(12-10-18)21(23)22(14-15-24-3)16-20-13-8-17(2)25-20/h8-13H,4-7,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,18,2,3,4,5,22,7,11,8,10,21,15,16,19,23,6,9,20,12,14,13,17,24/E:(9,10)(11,12)/rA:25nCCCCCCCCCCCCONCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14;s19;d20;s21;d22;s20s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H29NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4091 |
Area: | 605.684 |
Solvation: | -4.73304 |
Coulombic: | -33.3064 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 343.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.63 |
LogP (Chemaxon): | 3.82 |
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 |
---|