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Chemical ID: 6386844
Chemical ID:
6386844
Name [?]:
N-(1-phenylethyl)pentanamide
SMILES [?]:
CCCCC(=O)NC(C)c1ccccc1
InChi [?]:
InChI=1/C13H19NO/c1-3-4-10-13(15)14-11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,9,2,3,13,12,14,11,15,4,8,10,5,7,6/E:(6,7)(8,9)/rA:15cCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.76332 |
Area: | 420.384 |
Solvation: | -1.74629 |
Coulombic: | -22.792 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.34 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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