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Chemical ID: 6399144
Chemical ID:
6399144
Name [?]:
4-(3-methylbutanoylamino)benzamide
SMILES [?]:
CC(C)CC(=O)Nc1ccc(cc1)C(=O)N
InChi [?]:
InChI=1/C12H16N2O2/c1-8(2)7-11(15)14-10-5-3-9(4-6-10)12(13)16/h3-6,8H,7H2,1-2H3,(H2,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,10,12,9,13,4,2,11,8,5,14,16,7,6,15/E:(1,2)(3,4)(5,6)/rA:16nCCCCCONCCCCCCCON/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.56443 |
Area: | 414.727 |
Solvation: | -2.80375 |
Coulombic: | -46.0864 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 220.268 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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