Chemical ID: 4206491

CCCC(=O)NCc1ccc2c(c1)OCO2
Chemical ID:
4206491
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)butanamide
SMILES [?]:
CCCC(=O)NCc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C12H15NO3/c1-2-3-12(14)13-7-9-4-5-10-11(6-9)16-8-15-10/h4-6H,2-3,7-8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,10,13,7,15,8,11,12,4,6,5,16,14/rA:16nCCCCONCCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.19168
Area:418.462
Solvation:-3.26987
Coulombic:-37.1814
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.252
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.0
LogP (Chemaxon):1.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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