Chemical ID: 4421501

c1cc(ccc1C(=O)NCC2CCCO2)N
Chemical ID:
4421501
Name [?]:
4-amino-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCC2CCCO2)N
InChi [?]:
InChI=1/C12H16N2O2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8,13H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:13,12,1,5,2,4,14,10,6,3,11,7,16,9,8,15/E:(3,4)(5,6)/rA:16cCCCCCCCONCCCCCON/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s11s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.36172
Area:416.763
Solvation:-3.05735
Coulombic:-46.4676
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.268
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.96
LogP (Chemaxon):0.39

Name Annotations

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Descriptor Annotations

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