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Chemical ID: 5533033
Chemical ID:
5533033
Name [?]:
3-butoxy-N-(2-furylmethyl)benzamide
SMILES [?]:
CCCCOc1cccc(c1)C(=O)NCc2ccco2
InChi [?]:
InChI=1/C16H19NO3/c1-2-3-9-19-14-7-4-6-13(11-14)16(18)17-12-15-8-5-10-20-15/h4-8,10-11H,2-3,9,12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,18,9,7,17,4,19,11,15,10,6,16,12,14,13,5,20/rA:20nCCCCOCCCCCCCONCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78254 |
Area: | 510.027 |
Solvation: | -3.96813 |
Coulombic: | -36.9209 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 273.327 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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