Chemical ID: 4567146

CC(C)C(CC(=O)N1CCCC1)c2ccc(cc2)OC(C)C
Chemical ID:
4567146
Name [?]:
3-(4-isopropoxyphenyl)-4-methyl-1-pyrrolidin-1-yl-pentan-1-one
SMILES [?]:
CC(C)C(CC(=O)N1CCCC1)c2ccc(cc2)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H29NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.1852
Area:531.01
Solvation:-3.0901
Coulombic:-24.7331
Bond Count [?]
All:23
Single:19
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.439
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.43
LogP (Chemaxon):3.59

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