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Chemical ID: 7500336
Chemical ID:
7500336
Name [?]:
2-hexanoylamino-N-isopropyl-benzamide
SMILES [?]:
CCCCCC(=O)Nc1ccccc1C(=O)NC(C)C
InChi [?]:
InChI=1/C16H24N2O2/c1-4-5-6-11-15(19)18-14-10-8-7-9-13(14)16(20)17-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,3,4,12,11,13,10,5,18,14,9,6,15,17,8,7,16/E:(2,3)/rA:20nCCCCCCONCCCCCCCONCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O2 |
All Atoms: | 44 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5848 |
Area: | 512.842 |
Solvation: | -2.23628 |
Coulombic: | -43.4493 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 276.374 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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