methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate

C15H20N2O3 — CID 83256152

IUPACmethyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate
SMILESCCC1NC(c2ccccc2)N(CCC(=O)OC)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-12-15(19)17(10-9-13(18)20-2)14(16-12)11-7-5-4-6-8-11/h4-8,12,14,16H,3,9-10H2,1-2H3
InChIKeySIRGZRTXVDTSHV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.46
Rot. Bonds5

About methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate

methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate (PubChem CID 83256152) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate
PubChem CID83256152
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate
SMILESCCC1NC(c2ccccc2)N(CCC(=O)OC)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-12-15(19)17(10-9-13(18)20-2)14(16-12)11-7-5-4-6-8-11/h4-8,12,14,16H,3,9-10H2,1-2H3
InChIKeySIRGZRTXVDTSHV-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate (CID 83256152) is methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate is CCC1NC(c2ccccc2)N(CCC(=O)OC)C1=O.
What is the InChIKey of methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate?
The InChIKey is SIRGZRTXVDTSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-12-15(19)17(10-9-13(18)20-2)14(16-12)11-7-5-4-6-8-11/h4-8,12,14,16H,3,9-10H2,1-2H3.
What are the key properties of methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate?
methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethyl-5-oxo-2-phenylimidazolidin-1-yl)propanoate is sourced from PubChem (CID 83256152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).