[(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate

C15H21NO4 — CID 88591580

IUPAC[(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate
SMILESCCC(NOC(=O)C(C)(C)OC)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-5-12(13(17)11-9-7-6-8-10-11)16-20-14(18)15(2,3)19-4/h6-10,12,16H,5H2,1-4H3
InChIKeyZHFJORKUJRDTNN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.12
Rot. Bonds7

About [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate

[(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate (PubChem CID 88591580) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate.

Molecular Properties

Compound Name[(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate
PubChem CID88591580
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate
SMILESCCC(NOC(=O)C(C)(C)OC)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-5-12(13(17)11-9-7-6-8-10-11)16-20-14(18)15(2,3)19-4/h6-10,12,16H,5H2,1-4H3
InChIKeyZHFJORKUJRDTNN-UHFFFAOYSA-N
XLogP2.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate?
The IUPAC name of [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate (CID 88591580) is [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate.
What is the SMILES notation for [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate?
The canonical SMILES for [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate is CCC(NOC(=O)C(C)(C)OC)C(=O)c1ccccc1.
What is the InChIKey of [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate?
The InChIKey is ZHFJORKUJRDTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-12(13(17)11-9-7-6-8-10-11)16-20-14(18)15(2,3)19-4/h6-10,12,16H,5H2,1-4H3.
What are the key properties of [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate?
[(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate has a molecular weight of 279.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate is sourced from PubChem (CID 88591580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).