Chemical ID: 7524181

CCC(CC)(C#C)NC(=O)c1ccc2c(c1)OCO2
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

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Experimental Annotations

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Descriptor Annotations

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