ChemDB: Chemical Search
Download
Chemical ID: 6393412
Chemical ID:
6393412
Name [?]:
N-(4-isopropylphenyl)but-2-enamide
SMILES [?]:
CC=CC(=O)Nc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C13H17NO/c1-4-5-13(15)14-12-8-6-11(7-9-12)10(2)3/h4-10H,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,3,9,11,8,12,13,10,7,4,6,5/E:(2,3)(6,7)(8,9)/rA:15nCCCCONCCCCCCCCC/rB:s1;w2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35549 |
Area: | 399.7 |
Solvation: | -1.63701 |
Coulombic: | -22.9966 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 203.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.67 |
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 |
---|