ChemDB: Chemical Search
Download
Chemical ID: 6366691
Chemical ID:
6366691
Name [?]:
N-[(4-methoxyphenyl)methyl]norbornane-2-carboxamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)C2CC3CCC2C3
InChi [?]:
InChI=1/C16H21NO2/c1-19-14-6-3-11(4-7-14)10-17-16(18)15-9-12-2-5-13(15)8-12/h3-4,6-7,12-13,15H,2,5,8-10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,5,7,17,4,8,19,14,9,6,15,18,3,13,11,10,12,2/E:(3,4)(6,7)/rA:19cCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.43244 |
Area: | 455.981 |
Solvation: | -2.96708 |
Coulombic: | -29.3784 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 259.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.37 |
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 |
---|