ChemDB: Chemical Search
Download
Chemical ID: 4264923
Chemical ID:
4264923
Name [?]:
N-[4-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(cc1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C16H24N2O2/c1-15(2,3)13(19)17-11-7-9-12(10-8-11)18-14(20)16(4,5)6/h7-10H,1-6H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,19,20,9,13,10,12,8,11,5,15,2,17,7,14,6,16/E:(1,2,3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/gE:(1,2)/rA:20nCCCCCONCCCCCCNCOCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49384 |
Area: | 491.779 |
Solvation: | -2.80064 |
Coulombic: | -41.3259 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.374 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.6 |
LogP (Chemaxon): | 4.41 |
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 |
---|