ethyl 2-benzamidooxypropanoate

C12H15NO4 — CID 131865576

IUPACethyl 2-benzamidooxypropanoate
SMILESCCOC(=O)C(C)ONC(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-3-16-12(15)9(2)17-13-11(14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyYEBLWOWQIASOGQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.30
Rot. Bonds5

About ethyl 2-benzamidooxypropanoate

ethyl 2-benzamidooxypropanoate (PubChem CID 131865576) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2-benzamidooxypropanoate.

Molecular Properties

Compound Nameethyl 2-benzamidooxypropanoate
PubChem CID131865576
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-benzamidooxypropanoate
SMILESCCOC(=O)C(C)ONC(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-3-16-12(15)9(2)17-13-11(14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyYEBLWOWQIASOGQ-UHFFFAOYSA-N
XLogP1.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.30
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
4-fluoro-N-(pivaloyloxy)benzamide
CID 1482244
N-Methoxy-4-methylbenzamide
CID 576933
N-Ethoxybenzamide
CID 3811105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamidooxypropanoate?
The IUPAC name of ethyl 2-benzamidooxypropanoate (CID 131865576) is ethyl 2-benzamidooxypropanoate.
What is the SMILES notation for ethyl 2-benzamidooxypropanoate?
The canonical SMILES for ethyl 2-benzamidooxypropanoate is CCOC(=O)C(C)ONC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzamidooxypropanoate?
The InChIKey is YEBLWOWQIASOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-16-12(15)9(2)17-13-11(14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-benzamidooxypropanoate?
ethyl 2-benzamidooxypropanoate has a molecular weight of 237.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamidooxypropanoate is sourced from PubChem (CID 131865576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).