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Chemical ID: 5084114
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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