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

C13H18N2O3 — CID 117010945

IUPAC4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1ccc(N2C(=O)OCCC2CCN)cc1
InChIInChI=1S/C13H18N2O3/c1-17-12-4-2-10(3-5-12)15-11(6-8-14)7-9-18-13(15)16/h2-5,11H,6-9,14H2,1H3
InChIKeyYYZHCTJTEXAQJJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.76
Rot. Bonds4

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

4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one (PubChem CID 117010945) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
PubChem CID117010945
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
SMILESCOc1ccc(N2C(=O)OCCC2CCN)cc1
InChIInChI=1S/C13H18N2O3/c1-17-12-4-2-10(3-5-12)15-11(6-8-14)7-9-18-13(15)16/h2-5,11H,6-9,14H2,1H3
InChIKeyYYZHCTJTEXAQJJ-UHFFFAOYSA-N
XLogP1.76
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-3-(3,4-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010922
4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one
CID 117010932
4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one
CID 117010887
3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011455
4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 117011448
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010770
methyl 3-(4-chlorophenyl)-2-oxo-1,3-oxazinane-4-carboxylate
CID 24976381
(3aR,4R,7aR)-4-chloro-3-(4-methoxyphenyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 132544966
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-3-one
CID 54072038
(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 44596536

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one (CID 117010945) is 4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one is COc1ccc(N2C(=O)OCCC2CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is YYZHCTJTEXAQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-12-4-2-10(3-5-12)15-11(6-8-14)7-9-18-13(15)16/h2-5,11H,6-9,14H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one?
4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117010945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).