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

C15H20N2O4 — CID 82346175

IUPACpropan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCCC1Oc2cccc(N)c2N(CC(=O)OC(C)C)C1=O
InChIInChI=1S/C15H20N2O4/c1-4-11-15(19)17(8-13(18)20-9(2)3)14-10(16)6-5-7-12(14)21-11/h5-7,9,11H,4,8,16H2,1-3H3
InChIKeyODWOWWUYJUABEZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.72
Rot. Bonds4

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

propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 82346175) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID82346175
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namepropan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCCC1Oc2cccc(N)c2N(CC(=O)OC(C)C)C1=O
InChIInChI=1S/C15H20N2O4/c1-4-11-15(19)17(8-13(18)20-9(2)3)14-10(16)6-5-7-12(14)21-11/h5-7,9,11H,4,8,16H2,1-3H3
InChIKeyODWOWWUYJUABEZ-UHFFFAOYSA-N
XLogP1.72
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.72
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

propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 82345940
5-amino-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82346193
propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 82345948
5-amino-4-(2-methylprop-2-enyl)-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346244
2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 82345925
5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82346261
ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82345714
(2S)-2-ethyl-4-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]-1,4-benzoxazepine-3,5-dione
CID 40640287
5-amino-4-[2-(dimethylamino)ethyl]-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346249
(2R)-2,4-diethyl-1,4-benzoxazin-3-one
CID 140970605
5-amino-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346236
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate (CID 82346175) is propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate is CCC1Oc2cccc(N)c2N(CC(=O)OC(C)C)C1=O.
What is the InChIKey of propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is ODWOWWUYJUABEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-11-15(19)17(8-13(18)20-9(2)3)14-10(16)6-5-7-12(14)21-11/h5-7,9,11H,4,8,16H2,1-3H3.
What are the key properties of propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 292.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-amino-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 82346175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).