tert-butyl 2-benzamidooxy-2-methylpropanoate

C15H21NO4 — CID 10492935

IUPACtert-butyl 2-benzamidooxy-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)ONC(=O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-14(2,3)19-13(18)15(4,5)20-16-12(17)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,17)
InChIKeyWKXCUXOEOIPOGS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.47
Rot. Bonds4

About tert-butyl 2-benzamidooxy-2-methylpropanoate

tert-butyl 2-benzamidooxy-2-methylpropanoate (PubChem CID 10492935) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 2-benzamidooxy-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-benzamidooxy-2-methylpropanoate
PubChem CID10492935
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl 2-benzamidooxy-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)ONC(=O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-14(2,3)19-13(18)15(4,5)20-16-12(17)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,17)
InChIKeyWKXCUXOEOIPOGS-UHFFFAOYSA-N
XLogP2.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzadox
CID 21322
N-Methoxybenzamide
CID 12355457
Benzamide, N-(acetyloxy)-N-ethoxy-
CID 154235
Benzadox-ammonium
CID 21321
N-Tert-butoxy-benzamide
CID 4052036
4-Benzamidooxybutyl acetate
CID 154236
N-(Acetoxy)-N-(1-methylethoxy)benzamide
CID 3025738
O-Acetyl benzohydroxamate
CID 146688
4-fluoro-N-(pivaloyloxy)benzamide
CID 1482244
N-Ethoxybenzamide
CID 3811105
Benzamido 3-oxobutanoate
CID 15049275
8-Benzamidooxyoctyl acetate
CID 154237

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-benzamidooxy-2-methylpropanoate?
The IUPAC name of tert-butyl 2-benzamidooxy-2-methylpropanoate (CID 10492935) is tert-butyl 2-benzamidooxy-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-benzamidooxy-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-benzamidooxy-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)ONC(=O)c1ccccc1.
What is the InChIKey of tert-butyl 2-benzamidooxy-2-methylpropanoate?
The InChIKey is WKXCUXOEOIPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2,3)19-13(18)15(4,5)20-16-12(17)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,17).
What are the key properties of tert-butyl 2-benzamidooxy-2-methylpropanoate?
tert-butyl 2-benzamidooxy-2-methylpropanoate has a molecular weight of 279.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-benzamidooxy-2-methylpropanoate is sourced from PubChem (CID 10492935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).