ChemDB: Chemical Search
Download
Chemical ID: 7524181
Chemical ID:
7524181
Name [?]:
N-(1,1-diethylprop-2-ynyl)benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
CCC(CC)(C#C)NC(=O)c1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C15H17NO3/c1-4-15(5-2,6-3)16-14(17)11-7-8-12-13(9-11)19-10-18-12/h1,7-9H,5-6,10H2,2-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:7,1,5,6,2,4,12,13,16,18,11,14,15,9,3,8,10,19,17/E:(2,3)(5,6)/rA:19nCCCCCCCNCOCCCCCCOCO/rB:s1;s2;s3;s4;s3;t6;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO3 |
All Atoms: | 36 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.70737 |
Area: | 448.685 |
Solvation: | -3.50975 |
Coulombic: | -40.5843 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.8 |
LogP (Chemaxon): | None |
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 |
---|