ChemDB: Chemical Search
Download
Chemical ID: 7263051
Chemical ID:
7263051
Name [?]:
N-[(2,3-dimethylphenyl)carbamoylmethyl]-N-methyl-cyclopentanecarboxamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)CN(C)C(=O)C2CCCC2
InChi [?]:
InChI=1/C17H24N2O2/c1-12-7-6-10-15(13(12)2)18-16(20)11-19(3)17(21)14-8-4-5-9-14/h6-7,10,14H,4-5,8-9,11H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,8,14,19,20,4,3,18,21,5,12,2,7,17,6,10,15,9,13,11,16/E:(4,5)(8,9)/rA:21nCCCCCCCCNCOCNCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s13;d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O2 |
All Atoms: | 45 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18821 |
Area: | 498.617 |
Solvation: | -3.27722 |
Coulombic: | -36.7974 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 288.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.31 |
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 |
---|