Chemical ID: 5533033

CCCCOc1cccc(c1)C(=O)NCc2ccco2
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

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Descriptor Annotations

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