ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate

C15H22N2O4 — CID 119706676

IUPACethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
SMILESCCOC(=O)[C@H](NC(=O)CNCCOC)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)14(12-7-5-4-6-8-12)17-13(18)11-16-9-10-20-2/h4-8,14,16H,3,9-11H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyUQHGAGGZLIDXBY-CQSZACIVSA-N
MW294.35 g/mol
LogP0.64
Rot. Bonds9

About ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate

ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate (PubChem CID 119706676) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
PubChem CID119706676
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
SMILESCCOC(=O)[C@H](NC(=O)CNCCOC)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)14(12-7-5-4-6-8-12)17-13(18)11-16-9-10-20-2/h4-8,14,16H,3,9-11H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyUQHGAGGZLIDXBY-CQSZACIVSA-N
XLogP0.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate
CID 79282260
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
N-(1,3-diphenylpropyl)-2-(2-methoxyethylamino)acetamide
CID 119737630
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
CID 119875696
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917
ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate
CID 126007455

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate (CID 119706676) is ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate is CCOC(=O)[C@H](NC(=O)CNCCOC)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate?
The InChIKey is UQHGAGGZLIDXBY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-15(19)14(12-7-5-4-6-8-12)17-13(18)11-16-9-10-20-2/h4-8,14,16H,3,9-11H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate?
ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate has a molecular weight of 294.35 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate is sourced from PubChem (CID 119706676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).