ethyl 2-benzamidooxy-2-methylpropanoate

C13H17NO4 — CID 10658376

IUPACethyl 2-benzamidooxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)ONC(=O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-4-17-12(16)13(2,3)18-14-11(15)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyWMWTYOMUGOHNSI-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.69
Rot. Bonds5

About ethyl 2-benzamidooxy-2-methylpropanoate

ethyl 2-benzamidooxy-2-methylpropanoate (PubChem CID 10658376) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 2-benzamidooxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-benzamidooxy-2-methylpropanoate
PubChem CID10658376
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-benzamidooxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)ONC(=O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-4-17-12(16)13(2,3)18-14-11(15)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyWMWTYOMUGOHNSI-UHFFFAOYSA-N
XLogP1.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.69
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
N-Benzoyl-O-allylhydroxylamine
CID 12236766
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
N-Ethoxybenzamide
CID 3811105
Benzamido 3-oxobutanoate
CID 15049275
8-Benzamidooxyoctyl acetate
CID 154237

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamidooxy-2-methylpropanoate?
The IUPAC name of ethyl 2-benzamidooxy-2-methylpropanoate (CID 10658376) is ethyl 2-benzamidooxy-2-methylpropanoate.
What is the SMILES notation for ethyl 2-benzamidooxy-2-methylpropanoate?
The canonical SMILES for ethyl 2-benzamidooxy-2-methylpropanoate is CCOC(=O)C(C)(C)ONC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzamidooxy-2-methylpropanoate?
The InChIKey is WMWTYOMUGOHNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-17-12(16)13(2,3)18-14-11(15)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15).
What are the key properties of ethyl 2-benzamidooxy-2-methylpropanoate?
ethyl 2-benzamidooxy-2-methylpropanoate has a molecular weight of 251.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamidooxy-2-methylpropanoate is sourced from PubChem (CID 10658376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).