ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate

C14H20ClNO3 — CID 15056668

IUPACethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)CONCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-4-18-13(17)14(2,3)10-19-16-9-11-7-5-6-8-12(11)15/h5-8,16H,4,9-10H2,1-3H3
InChIKeyKJJWYFVBYXTAOO-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.95
Rot. Bonds7

About ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate

ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate (PubChem CID 15056668) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate
PubChem CID15056668
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nameethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)CONCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-4-18-13(17)14(2,3)10-19-16-9-11-7-5-6-8-12(11)15/h5-8,16H,4,9-10H2,1-3H3
InChIKeyKJJWYFVBYXTAOO-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate (CID 15056668) is ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)CONCc1ccccc1Cl.
What is the InChIKey of ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate?
The InChIKey is KJJWYFVBYXTAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-18-13(17)14(2,3)10-19-16-9-11-7-5-6-8-12(11)15/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate?
ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate has a molecular weight of 285.77 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-chlorophenyl)methylamino]oxy-2,2-dimethylpropanoate is sourced from PubChem (CID 15056668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).