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Chemical ID: 5152455
Chemical ID:
5152455
Name [?]:
N-(4-methyl-3-pentanoylamino-phenyl)pentanamide
SMILES [?]:
CCCCC(=O)Nc1ccc(c(c1)NC(=O)CCCC)C
InChi [?]:
InChI=1/C17H26N2O2/c1-4-6-8-16(20)18-14-11-10-13(3)15(12-14)19-17(21)9-7-5-2/h10-12H,4-9H2,1-3H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,2,19,3,18,4,17,10,9,13,11,8,12,5,15,7,14,6,16/rA:21nCCCCCONCCCCCCNCOCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;s18;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5574 |
Area: | 543.396 |
Solvation: | -3.02755 |
Coulombic: | -40.2291 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 290.401 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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