3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one

C14H19NO2 — CID 43824080

IUPAC3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one
SMILESCc1ccc(C)c(C(C)NC2CCOC2=O)c1
InChIInChI=1S/C14H19NO2/c1-9-4-5-10(2)12(8-9)11(3)15-13-6-7-17-14(13)16/h4-5,8,11,13,15H,6-7H2,1-3H3
InChIKeyFNDCXDFQOSPKRV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds3

About 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one

3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one (PubChem CID 43824080) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one
PubChem CID43824080
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one
SMILESCc1ccc(C)c(C(C)NC2CCOC2=O)c1
InChIInChI=1S/C14H19NO2/c1-9-4-5-10(2)12(8-9)11(3)15-13-6-7-17-14(13)16/h4-5,8,11,13,15H,6-7H2,1-3H3
InChIKeyFNDCXDFQOSPKRV-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one?
The IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one (CID 43824080) is 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one.
What is the SMILES notation for 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one?
The canonical SMILES for 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one is Cc1ccc(C)c(C(C)NC2CCOC2=O)c1.
What is the InChIKey of 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one?
The InChIKey is FNDCXDFQOSPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-4-5-10(2)12(8-9)11(3)15-13-6-7-17-14(13)16/h4-5,8,11,13,15H,6-7H2,1-3H3.
What are the key properties of 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one?
3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one is sourced from PubChem (CID 43824080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).