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Chemical ID: 5911134
Chemical ID:
5911134
Name [?]:
N-benzyl-N-(2-furylmethyl)pentanamide
SMILES [?]:
CCCCC(=O)N(Cc1ccccc1)Cc2ccco2
InChi [?]:
InChI=1/C17H21NO2/c1-2-3-11-17(19)18(14-16-10-7-12-20-16)13-15-8-5-4-6-9-15/h4-10,12H,2-3,11,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,12,11,13,18,10,14,17,4,19,8,15,9,16,5,7,6,20/E:(5,6)(8,9)/rA:20nCCCCCONCCCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s7;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35179 |
Area: | 492.57 |
Solvation: | -2.96246 |
Coulombic: | -24.8524 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 271.354 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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