Chemical ID: 3943869

COc1ccc(cc1OC)C(=O)NC2CCN(CC2)CC(=O)NCc3ccco3
Chemical ID:
3943869
Name [?]:
N-[1-(2-furylmethylcarbamoylmethyl)-4-piperidyl]-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)NC2CCN(CC2)CC(=O)NCc3ccco3
InChi [?]:
InChI=1/C21H27N3O5/c1-27-18-6-5-15(12-19(18)28-2)21(26)23-16-7-9-24(10-8-16)14-20(25)22-13-17-4-3-11-29-17/h3-6,11-12,16H,7-10,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,10,27,26,5,4,15,19,16,18,28,7,24,20,6,14,25,3,8,21,11,23,13,17,22,12,2,9,29/E:(7,8)(9,10)/rA:29nCOCCCCCCOCCONCCCNCCCCONCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s21;s23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.2761
Area:656.085
Solvation:-8.12601
Coulombic:-66.7209
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:401.456
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.96
LogP (Chemaxon):0.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue