ChemDB: Chemical Search
Download
Chemical ID: 6941070
Chemical ID:
6941070
Name [?]:
N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
SMILES [?]:
CCCC(=O)NC(C)c1cc(ccc1OC)OC
InChi [?]:
InChI=1/C14H21NO3/c1-5-6-14(16)15-10(2)12-9-11(17-3)7-8-13(12)18-4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,8,18,16,2,3,12,13,10,7,11,9,14,4,6,5,17,15/rA:18cCCCCONCCCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s7;s9;d10;s11;d12;d9s13;s14;s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3 |
All Atoms: | 39 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.22784 |
Area: | 465.085 |
Solvation: | -4.39929 |
Coulombic: | -34.9118 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 251.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.6 |
LogP (Chemaxon): | 1.92 |
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 |
---|