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Chemical ID: 4244967
Chemical ID:
4244967
Name [?]:
3,3-dimethyl-N-(2-tert-butylphenyl)-butanamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1ccccc1C(C)(C)C
InChi [?]:
InChI=1/C16H25NO/c1-15(2,3)11-14(18)17-13-10-8-7-9-12(13)16(4,5)6/h7-10H,11H2,1-6H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,18,12,11,13,10,5,14,9,6,2,15,8,7/E:(1,2,3)(4,5,6)/rA:18nCCCCCCONCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56401 |
Area: | 440.95 |
Solvation: | -1.45973 |
Coulombic: | -22.7393 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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