Chemical ID: 6610238

CC(=O)NCCC(=O)NCc1ccc2c(c1)OCO2
Chemical ID:
6610238
Name [?]:
3-acetamido-N-(benzo[1,3]dioxol-5-ylmethyl)propanamide
SMILES [?]:
CC(=O)NCCC(=O)NCc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C13H16N2O4/c1-9(16)14-5-4-13(17)15-7-10-2-3-11-12(6-10)19-8-18-11/h2-3,6H,4-5,7-8H2,1H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,12,13,6,5,16,10,18,2,11,14,15,7,4,9,3,8,19,17/rA:19nCCONCCCONCCCCCCCOCO/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.12967
Area:480.824
Solvation:-4.89093
Coulombic:-55.353
Bond Count [?]
All:20
Single:15
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.277
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.51
LogP (Chemaxon):-0.22

Name Annotations

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Descriptor Annotations

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