4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one

C13H18N2O2 — CID 117010904

IUPAC4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
SMILESNCCC1CCOC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/c14-8-6-12-7-9-17-13(16)15(12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2
InChIKeyCNTHVMGBTDZYQE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.75
Rot. Bonds4

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

4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one (PubChem CID 117010904) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
PubChem CID117010904
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
SMILESNCCC1CCOC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/c14-8-6-12-7-9-17-13(16)15(12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2
InChIKeyCNTHVMGBTDZYQE-UHFFFAOYSA-N
XLogP1.75
TPSA55.56 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one
CID 117010887
4-(2-aminoethyl)-3-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060240
4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060239
4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one
CID 117010932
2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine
CID 115107304
4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060232
4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one
CID 53344302
5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
1-benzyl-5-[2-(1,3-dioxan-2-yl)ethyl]pyrrolidin-2-one
CID 14762611
4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010945

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one (CID 117010904) is 4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one is NCCC1CCOC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one?
The InChIKey is CNTHVMGBTDZYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-8-6-12-7-9-17-13(16)15(12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2.
What are the key properties of 4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one?
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one is sourced from PubChem (CID 117010904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).