ChemDB: Chemical Search
Download
Chemical ID: 5911279
Chemical ID:
5911279
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-N-[(5-methyl-2-furyl)methyl]-3-phenyl-propanamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CCc4ccccc4
InChi [?]:
InChI=1/C23H23NO4/c1-17-7-10-20(28-17)15-24(23(25)12-9-18-5-3-2-4-6-18)14-19-8-11-21-22(13-19)27-16-26-21/h2-8,10-11,13H,9,12,14-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,24,28,3,11,22,4,12,21,15,9,7,17,2,23,10,5,13,14,19,8,20,18,16,6/E:(3,4)(5,6)/rA:28nCCCCCOCNCCCCCCCOCOCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2929 |
Area: | 608.774 |
Solvation: | -4.9265 |
Coulombic: | -40.3606 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 377.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.9 |
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 |
---|