(2-methoxy-2-oxoethyl) 2-benzamidoacetate

C12H13NO5 — CID 24647854

IUPAC(2-methoxy-2-oxoethyl) 2-benzamidoacetate
SMILESCOC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C12H13NO5/c1-17-11(15)8-18-10(14)7-13-12(16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)
InChIKeyPUSUWZCEXSQSMT-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.13
Rot. Bonds5

About (2-methoxy-2-oxoethyl) 2-benzamidoacetate

(2-methoxy-2-oxoethyl) 2-benzamidoacetate (PubChem CID 24647854) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-benzamidoacetate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-benzamidoacetate
PubChem CID24647854
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name(2-methoxy-2-oxoethyl) 2-benzamidoacetate
SMILESCOC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C12H13NO5/c1-17-11(15)8-18-10(14)7-13-12(16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)
InChIKeyPUSUWZCEXSQSMT-UHFFFAOYSA-N
XLogP0.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methoxy-2-oxoethyl) 2-benzamidoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
benzyl 2-benzamidoacetate;ethane
CID 142836612
(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
CID 134970204
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625531
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
CID 172688243
CID 172688243
sodium;amino 2-benzamidoacetate;hydride
CID 175503094
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131
[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
CID 7783022

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-benzamidoacetate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-benzamidoacetate (CID 24647854) is (2-methoxy-2-oxoethyl) 2-benzamidoacetate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-benzamidoacetate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-benzamidoacetate is COC(=O)COC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-benzamidoacetate?
The InChIKey is PUSUWZCEXSQSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-17-11(15)8-18-10(14)7-13-12(16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16).
What are the key properties of (2-methoxy-2-oxoethyl) 2-benzamidoacetate?
(2-methoxy-2-oxoethyl) 2-benzamidoacetate has a molecular weight of 251.24 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-benzamidoacetate is sourced from PubChem (CID 24647854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).