Chemical ID: 5650290

CCCC(=O)Nc1ccc2c(c1)C(=O)N(C2=O)C
Chemical ID:
5650290
Name [?]:
N-(2-methyl-1,3-dioxo-isoindolin-5-yl)butanamide
SMILES [?]:
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C2=O)C
InChi [?]:
InChI=1/C13H14N2O3/c1-3-4-11(16)14-8-5-6-9-10(7-8)13(18)15(2)12(9)17/h5-7H,3-4H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,18,2,3,8,9,12,7,10,11,4,16,13,6,15,5,17,14/rA:18nCCCCONCCCCCCCONCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s10s15;d16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.77663
Area:436.476
Solvation:-3.13527
Coulombic:-45.2812
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.262
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.21
LogP (Chemaxon):0.98

Name Annotations

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Descriptor Annotations

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