ChemDB: Chemical Search
Download
Chemical ID: 7275464
Chemical ID:
7275464
Name [?]:
3-(1H-indol-3-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCC(=O)NCC3CCCO3
InChi [?]:
InChI=1/C16H20N2O2/c19-16(18-11-13-4-3-9-20-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,17H,3-4,7-9,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,10,11,19,8,15,7,16,5,4,12,9,14,13,20/rA:20cCCCCCCCCNCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.70852 |
Area: | 490.98 |
Solvation: | -3.56598 |
Coulombic: | -39.4446 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.83 |
LogP (Chemaxon): | 2.09 |
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 |
---|