[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate

C15H21NO4 — CID 2505375

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-11(2)12-4-6-13(7-5-12)15(18)20-10-14(17)16-8-9-19-3/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyUQUNTIKXLGKHAR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds7

About [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate (PubChem CID 2505375) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
PubChem CID2505375
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-11(2)12-4-6-13(7-5-12)15(18)20-10-14(17)16-8-9-19-3/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyUQUNTIKXLGKHAR-UHFFFAOYSA-N
XLogP1.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603418
[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631759
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
CID 9011270
[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 2520547
[2-(3-methoxypropylamino)-2-oxoethyl] 4-aminobenzoate
CID 60625420
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
[2-(2-methoxyethylamino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752892
N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide
CID 94268074
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
(2-amino-2-oxoethyl) 4-propan-2-ylbenzoate
CID 2505465
[2-(2-methoxyethylamino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706555

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate (CID 2505375) is [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate is COCCNC(=O)COC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate?
The InChIKey is UQUNTIKXLGKHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(2)12-4-6-13(7-5-12)15(18)20-10-14(17)16-8-9-19-3/h4-7,11H,8-10H2,1-3H3,(H,16,17).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate has a molecular weight of 279.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate is sourced from PubChem (CID 2505375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).