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Chemical ID: 4228634
Chemical ID:
4228634
Name [?]:
N-(2-isopropylphenyl)-2-methyl-pentanamide
SMILES [?]:
CCCC(C)C(=O)Nc1ccccc1C(C)C
InChi [?]:
InChI=1/C15H23NO/c1-5-8-12(4)15(17)16-14-10-7-6-9-13(14)11(2)3/h6-7,9-12H,5,8H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,5,2,12,11,3,13,10,15,4,14,9,6,8,7/E:(2,3)/rA:17cCCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.61007 |
Area: | 450.271 |
Solvation: | -1.64672 |
Coulombic: | -22.6354 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 233.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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