ChemDB: Chemical Search
Download
Chemical ID: 6367126
Chemical ID:
6367126
Name [?]:
3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
SMILES [?]:
COCCCNC(=O)CCc1ccc(cc1)OC
InChi [?]:
InChI=1/C14H21NO3/c1-17-11-3-10-15-14(16)9-6-12-4-7-13(18-2)8-5-12/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,4,12,16,10,13,15,9,5,3,11,14,7,6,8,2,17/E:(4,5)(7,8)/rA:18nCOCCCNCOCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42696 |
Area: | 488.985 |
Solvation: | -4.79768 |
Coulombic: | -35.4996 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 251.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.09 |
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 |
---|