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Chemical ID: 6603378
Chemical ID:
6603378
Name [?]:
N-[1-(dimethylcarbamoyl)ethyl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C(=O)N(C)C)NC(=O)c1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C16H24N2O2/c1-11(15(20)18(5)6)17-14(19)12-7-9-13(10-8-12)16(2,3)4/h7-11H,1-6H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,6,7,12,16,13,15,2,11,14,9,3,17,8,5,10,4/E:(2,3,4)(5,6)(7,8)(9,10)/rA:20cCCCONCCNCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;s2;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1855 |
Area: | 498.026 |
Solvation: | -2.2651 |
Coulombic: | -40.5439 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 276.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.08 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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