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Chemical ID: 4206354
Chemical ID:
4206354
Name [?]:
N-(2-acetamidophenyl)butanamide
SMILES [?]:
CCCC(=O)Nc1ccccc1NC(=O)C
InChi [?]:
InChI=1/C12H16N2O2/c1-3-6-12(16)14-11-8-5-4-7-10(11)13-9(2)15/h4-5,7-8H,3,6H2,1-2H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,16,2,10,9,3,11,8,14,12,7,4,13,6,15,5/rA:16nCCCCONCCCCCCNCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43435 |
Area: | 415.939 |
Solvation: | -2.96412 |
Coulombic: | -39.4637 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 220.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.35 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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