Chemical ID: 4566973

CC(C)C1CC(CCO1)(CC(=O)NCc2ccco2)c3ccccc3OC
Chemical ID:
4566973
Name [?]:
N-(2-furylmethyl)-2-[2-isopropyl-4-(2-methoxyphenyl)-tetrahydropyran-4-yl]-acetamide
SMILES [?]:
CC(C)C1CC(CCO1)(CC(=O)NCc2ccco2)c3ccccc3OC
InChi [?]:
InChI=1/C22H29NO4/c1-16(2)20-13-22(10-12-27-20,18-8-4-5-9-19(18)25-3)14-21(24)23-15-17-7-6-11-26-17/h4-9,11,16,20H,10,12-15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,27,22,23,17,16,21,24,7,18,8,5,10,14,2,15,20,25,4,11,6,13,12,26,19,9/E:(1,2)/rA:27cCCCCCCCCOCCONCCCCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s6;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s6;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:9.49749
Area:584.971
Solvation:-5.12679
Coulombic:-43.769
Bond Count [?]
All:29
Single:23
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.47
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.81
LogP (Chemaxon):3.02

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