5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one

C14H20N2O2 — CID 117002404

IUPAC5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
SMILESCCc1ccc(N2CC(CCN)COC2=O)cc1
InChIInChI=1S/C14H20N2O2/c1-2-11-3-5-13(6-4-11)16-9-12(7-8-15)10-18-14(16)17/h3-6,12H,2,7-10,15H2,1H3
InChIKeyOZQFSAGDFCNNLL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.17
Rot. Bonds4

About 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one

5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one (PubChem CID 117002404) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
PubChem CID117002404
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
SMILESCCc1ccc(N2CC(CCN)COC2=O)cc1
InChIInChI=1S/C14H20N2O2/c1-2-11-3-5-13(6-4-11)16-9-12(7-8-15)10-18-14(16)17/h3-6,12H,2,7-10,15H2,1H3
InChIKeyOZQFSAGDFCNNLL-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
5-(2-aminoethyl)-3-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one
CID 117002431
3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117011179
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one
CID 117002268
5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one
CID 117002371
2-[1-(4-ethylphenyl)piperidin-4-yl]ethanamine
CID 82289871
3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
CID 117002473
methyl 3-[5-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]benzoate
CID 117002275
2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
CID 117020563
5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one
CID 117002390

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one (CID 117002404) is 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one is CCc1ccc(N2CC(CCN)COC2=O)cc1.
What is the InChIKey of 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one?
The InChIKey is OZQFSAGDFCNNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11-3-5-13(6-4-11)16-9-12(7-8-15)10-18-14(16)17/h3-6,12H,2,7-10,15H2,1H3.
What are the key properties of 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one?
5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117002404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).