methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate

C16H28N2O3 — CID 83247573

IUPACmethyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate
SMILESCCCCC1NC(C2CCCC2)N(CCC(=O)OC)C1=O
InChIInChI=1S/C16H28N2O3/c1-3-4-9-13-16(20)18(11-10-14(19)21-2)15(17-13)12-7-5-6-8-12/h12-13,15,17H,3-11H2,1-2H3
InChIKeyXOLCSJLHPIKPMV-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.06
Rot. Bonds7

About methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate

methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate (PubChem CID 83247573) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate
PubChem CID83247573
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate
SMILESCCCCC1NC(C2CCCC2)N(CCC(=O)OC)C1=O
InChIInChI=1S/C16H28N2O3/c1-3-4-9-13-16(20)18(11-10-14(19)21-2)15(17-13)12-7-5-6-8-12/h12-13,15,17H,3-11H2,1-2H3
InChIKeyXOLCSJLHPIKPMV-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one
CID 83246103
2-cyclopentyl-3,5-dipropylimidazolidin-4-one
CID 83242252
2-cyclopentyl-3-(2-cyclopentylethyl)-5-ethylimidazolidin-4-one
CID 83255960
methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate
CID 83256806
5-butyl-2-cyclopentyl-3-(3-methylcyclopentyl)imidazolidin-4-one
CID 114552252
2-cyclopentyl-5-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
CID 106433274
5-butyl-3-(2-cyclopentyloxyethyl)-2-propylimidazolidin-4-one
CID 83264500
2-cyclopentyl-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83251613
2-cyclopentyl-3-[(1-methylcyclopentyl)methyl]-5-propylimidazolidin-4-one
CID 83262733
5-butyl-3-(3-cyclopentylpropyl)-2-propylimidazolidin-4-one
CID 106011295
2-cyclopentyl-5-ethyl-3-[3-[methyl(propan-2-yl)amino]propyl]imidazolidin-4-one
CID 106053010
2-cyclopentyl-3-octylimidazolidin-4-one
CID 83260832

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate (CID 83247573) is methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate is CCCCC1NC(C2CCCC2)N(CCC(=O)OC)C1=O.
What is the InChIKey of methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate?
The InChIKey is XOLCSJLHPIKPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-4-9-13-16(20)18(11-10-14(19)21-2)15(17-13)12-7-5-6-8-12/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate?
methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate has a molecular weight of 296.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-butyl-2-cyclopentyl-5-oxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 83247573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).