Chemical ID: 7283567

c1cc2c(cc1C(=O)NCCCN3CCOCC3)OCCO2
Chemical ID:
7283567
Name [?]:
N-(3-morpholinopropyl)-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-8-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)NCCCN3CCOCC3)OCCO2
InChi [?]:
InChI=1/C16H22N2O4/c19-16(17-4-1-5-18-6-8-20-9-7-18)13-2-3-14-15(12-13)22-11-10-21-14/h2-3,12H,1,4-11H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:11,1,2,10,12,14,18,15,17,21,20,5,6,3,4,7,9,13,8,16,22,19/E:(6,7)(8,9)/rA:22nCCCCCCCONCCCNCCOCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s4;s19;s20;s3s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O4
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.87454
Area:521.012
Solvation:-5.15077
Coulombic:-50.336
Bond Count [?]
All:24
Single:20
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:306.357
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.86
LogP (Chemaxon):-0.05

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Descriptor Annotations

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