Chemical ID: 5846749

c1cc2c(cc1CNC(=O)COCC(=O)N3CCCCCC3)OCO2
Chemical ID:
5846749
Name [?]:
2-(azepan-1-ylcarbonylmethoxy)-N-(benzo[1,3]dioxol-5-ylmethyl)acetamide
SMILES [?]:
c1cc2c(cc1CNC(=O)COCC(=O)N3CCCCCC3)OCO2
InChi [?]:
InChI=1/C18H24N2O5/c21-17(11-23-12-18(22)20-7-3-1-2-4-8-20)19-10-14-5-6-15-16(9-14)25-13-24-15/h5-6,9H,1-4,7-8,10-13H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:19,20,18,21,1,2,17,22,5,7,11,13,24,6,3,4,9,14,8,16,10,15,12,25,23/E:(1,2)(3,4)(7,8)/rA:25nCCCCCCCNCOCOCCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s16s21;s4;s23;s3s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.51499
Area:576.491
Solvation:-7.89727
Coulombic:-59.9959
Bond Count [?]
All:27
Single:22
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:348.394
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.2
LogP (Chemaxon):0.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue