ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate

C13H17NO3 — CID 26163301

IUPACethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1ccccc1C
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)9-14-12(15)8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyVCSSQIWJUMMSGY-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.22
Rot. Bonds5

About ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate

ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate (PubChem CID 26163301) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
PubChem CID26163301
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1ccccc1C
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)9-14-12(15)8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyVCSSQIWJUMMSGY-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
N-[2-(2-ethoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998801
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
ethyl 2-[[2-(furan-2-yl)acetyl]amino]acetate
CID 110484571
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
CID 104858311
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112997518

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate (CID 26163301) is ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate is CCOC(=O)CNC(=O)Cc1ccccc1C.
What is the InChIKey of ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate?
The InChIKey is VCSSQIWJUMMSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-13(16)9-14-12(15)8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate?
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate has a molecular weight of 235.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate is sourced from PubChem (CID 26163301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).