ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate

C14H20N2O3 — CID 82345714

IUPACethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
SMILESCCOC(=O)CN1CC(CC)Oc2cccc(N)c21
InChIInChI=1S/C14H20N2O3/c1-3-10-8-16(9-13(17)18-4-2)14-11(15)6-5-7-12(14)19-10/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyROUWEHXSXRYRKH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.81
Rot. Bonds4

About ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate

ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate (PubChem CID 82345714) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
PubChem CID82345714
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
SMILESCCOC(=O)CN1CC(CC)Oc2cccc(N)c21
InChIInChI=1S/C14H20N2O3/c1-3-10-8-16(9-13(17)18-4-2)14-11(15)6-5-7-12(14)19-10/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyROUWEHXSXRYRKH-UHFFFAOYSA-N
XLogP1.81
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82345601
2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345735
ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate
CID 115934170
propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 82346175
ethyl 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82025463
2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345869
ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate
CID 139782512
3-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propane-1,2-diol
CID 82345661
propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 82345940
2-(5-amino-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 82345860
2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340408
4-(3-methylbutyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345878

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate (CID 82345714) is ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate is CCOC(=O)CN1CC(CC)Oc2cccc(N)c21.
What is the InChIKey of ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The InChIKey is ROUWEHXSXRYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10-8-16(9-13(17)18-4-2)14-11(15)6-5-7-12(14)19-10/h5-7,10H,3-4,8-9,15H2,1-2H3.
What are the key properties of ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate has a molecular weight of 264.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 82345714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).