Chemical ID: 5084114

CC(c1ccccc1)NC(=O)CN2CCCC2=O
Chemical ID:
5084114
Name [?]:
2-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)acetamide
SMILES [?]:
CC(c1ccccc1)NC(=O)CN2CCCC2=O
InChi [?]:
InChI=1/C14H18N2O2/c1-11(12-6-3-2-4-7-12)15-13(17)10-16-9-5-8-14(16)18/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,15,4,8,16,14,12,2,3,10,17,9,13,11,18/E:(3,4)(6,7)/rA:18cCCCCCCCCNCOCNCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;s15;s13s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.7837
Area:447.33
Solvation:-3.39954
Coulombic:-37.1151
Bond Count [?]
All:19
Single:14
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.305
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.24
LogP (Chemaxon):0.72

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