3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one

C13H18N2O2 — CID 61349238

IUPAC3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
SMILESCCNCc1cccc(N2CCCOC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-2-14-10-11-5-3-6-12(9-11)15-7-4-8-17-13(15)16/h3,5-6,9,14H,2,4,7-8,10H2,1H3
InChIKeyFSDXQUKCLLHCFU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.14
Rot. Bonds4

About 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one

3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one (PubChem CID 61349238) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
PubChem CID61349238
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
SMILESCCNCc1cccc(N2CCCOC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-2-14-10-11-5-3-6-12(9-11)15-7-4-8-17-13(15)16/h3,5-6,9,14H,2,4,7-8,10H2,1H3
InChIKeyFSDXQUKCLLHCFU-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-(2-methylpropyl)-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 60562162
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione
CID 61351324
5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
CID 55814674
1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 71940501
3-(2-oxo-1,3-oxazinan-3-yl)benzonitrile
CID 79686638
N-[3-methyl-1-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methylamino]pentan-2-yl]benzamide
CID 55814917
4-methyl-3-methylsulfonyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 94659890
4-cyclopentyloxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55934364
3-(2-methoxyphenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]propanamide
CID 55932832
2-[3-(ethylaminomethyl)phenyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886057

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one (CID 61349238) is 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one is CCNCc1cccc(N2CCCOC2=O)c1.
What is the InChIKey of 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one?
The InChIKey is FSDXQUKCLLHCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-14-10-11-5-3-6-12(9-11)15-7-4-8-17-13(15)16/h3,5-6,9,14H,2,4,7-8,10H2,1H3.
What are the key properties of 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one?
3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 61349238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).