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Chemical ID: 6443293
Chemical ID:
6443293
Name [?]:
N-(5-acetamido-2-methyl-phenyl)-2-methyl-propanamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C(C)C)NC(=O)C
InChi [?]:
InChI=1/C13H18N2O2/c1-8(2)13(17)15-12-7-11(14-10(4)16)6-5-9(12)3/h5-8H,1-4H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:12,13,1,17,3,4,6,11,2,15,5,7,9,14,8,16,10/E:(1,2)/rA:17nCCCCCCCNCOCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s5;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92407 |
Area: | 433.105 |
Solvation: | -2.90355 |
Coulombic: | -39.0346 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.294 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.3 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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