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Chemical ID: 7264065
Chemical ID:
7264065
Name [?]:
4-dimethylamino-N-isobutyl-benzamide
SMILES [?]:
CC(C)CNC(=O)c1ccc(cc1)N(C)C
InChi [?]:
InChI=1/C13H20N2O/c1-10(2)9-14-13(16)11-5-7-12(8-6-11)15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,9,13,10,12,4,2,8,11,6,5,14,7/E:(1,2)(3,4)(5,6)(7,8)/rA:16nCCCCNCOCCCCCCNCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O |
All Atoms: | 36 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90196 |
Area: | 433.392 |
Solvation: | -1.93283 |
Coulombic: | -29.3019 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 220.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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