propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate

C15H28N2O4 — CID 139659012

IUPACpropan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate
SMILESCC(C)OC(=O)CCN1CCN(CCC(=O)OC(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-12(2)20-14(18)5-7-16-9-10-17(11-16)8-6-15(19)21-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyLPZCDJTYWMJCLW-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.24
Rot. Bonds8

About propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate

propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate (PubChem CID 139659012) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate
PubChem CID139659012
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namepropan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate
SMILESCC(C)OC(=O)CCN1CCN(CCC(=O)OC(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-12(2)20-14(18)5-7-16-9-10-17(11-16)8-6-15(19)21-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyLPZCDJTYWMJCLW-UHFFFAOYSA-N
XLogP1.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate?
The IUPAC name of propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate (CID 139659012) is propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate.
What is the SMILES notation for propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate?
The canonical SMILES for propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate is CC(C)OC(=O)CCN1CCN(CCC(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate?
The InChIKey is LPZCDJTYWMJCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-12(2)20-14(18)5-7-16-9-10-17(11-16)8-6-15(19)21-13(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate?
propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate has a molecular weight of 300.40 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate is sourced from PubChem (CID 139659012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).