ethyl 2-[methyl-(2-phenylacetyl)amino]acetate

C13H17NO3 — CID 10489936

IUPACethyl 2-[methyl-(2-phenylacetyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)10-14(2)12(15)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyFKUKEPZKHRESMG-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.25
Rot. Bonds5

About ethyl 2-[methyl-(2-phenylacetyl)amino]acetate

ethyl 2-[methyl-(2-phenylacetyl)amino]acetate (PubChem CID 10489936) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-phenylacetyl)amino]acetate
PubChem CID10489936
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-[methyl-(2-phenylacetyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)10-14(2)12(15)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyFKUKEPZKHRESMG-UHFFFAOYSA-N
XLogP1.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
ethyl 2-phenylacetate
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ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
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ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
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ethyl 2-[[2-(4-dodecoxyphenyl)acetyl]-methylamino]acetate
CID 14477214
ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 78978637
ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
CID 14856955
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-phenylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(2-phenylacetyl)amino]acetate (CID 10489936) is ethyl 2-[methyl-(2-phenylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(2-phenylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(2-phenylacetyl)amino]acetate is CCOC(=O)CN(C)C(=O)Cc1ccccc1.
What is the InChIKey of ethyl 2-[methyl-(2-phenylacetyl)amino]acetate?
The InChIKey is FKUKEPZKHRESMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-13(16)10-14(2)12(15)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-[methyl-(2-phenylacetyl)amino]acetate?
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate has a molecular weight of 235.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 10489936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).