Chemical ID: 5845819

c1cc2c(cc1CNC(=O)CCC(=O)N3CCCC3)OCO2
Chemical ID:
5845819
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-4-oxo-4-pyrrolidin-1-yl-butanamide
SMILES [?]:
c1cc2c(cc1CNC(=O)CCC(=O)N3CCCC3)OCO2
InChi [?]:
InChI=1/C16H20N2O4/c19-15(5-6-16(20)18-7-1-2-8-18)17-10-12-3-4-13-14(9-12)22-11-21-13/h3-4,9H,1-2,5-8,10-11H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:17,18,1,2,11,12,16,19,5,7,21,6,3,4,9,13,8,15,10,14,22,20/E:(1,2)(7,8)/rA:22nCCCCCCCNCOCCCONCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s15s18;s4;s20;s3s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.7582
Area:526.102
Solvation:-4.39435
Coulombic:-51.4226
Bond Count [?]
All:24
Single:19
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:304.341
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.99
LogP (Chemaxon):0.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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