ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate

C14H19NO4 — CID 174328057

IUPACethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate
SMILESCCOC(=O)CN(CC(C)=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)10-15(9-12(2)16)19-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyMSWMHJYLQWFDNJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.57
Rot. Bonds8

About ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate

ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate (PubChem CID 174328057) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate
PubChem CID174328057
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate
SMILESCCOC(=O)CN(CC(C)=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)10-15(9-12(2)16)19-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyMSWMHJYLQWFDNJ-UHFFFAOYSA-N
XLogP1.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
benzyl benzoate;ethyl 3-oxobutanoate
CID 174984121
ethyl 2-[phenylmethoxycarbonyl(prop-2-ynyl)amino]acetate
CID 87488046
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
N-phenylmethoxyacetohydrazide
CID 174450270
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
ethyl 2-phenylacetate
CID 7590
ethyl 2-[benzenesulfonyl(2-oxopropyl)amino]acetate
CID 42807608
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
ethyl 2-(2-oxo-2-phenylmethoxyethyl)sulfanylacetate
CID 4101849
diethyl 3-phenylmethoxypentanedioate
CID 73212048
1-O,1-O-dibenzyl 2-O-ethyl ethane-1,1,2-tricarboxylate
CID 130210104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate?
The IUPAC name of ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate (CID 174328057) is ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate.
What is the SMILES notation for ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate?
The canonical SMILES for ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate is CCOC(=O)CN(CC(C)=O)OCc1ccccc1.
What is the InChIKey of ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate?
The InChIKey is MSWMHJYLQWFDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-18-14(17)10-15(9-12(2)16)19-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate?
ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate is sourced from PubChem (CID 174328057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).