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

C15H21NO5 — CID 2603418

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21NO5/c1-11(2)21-13-6-4-12(5-7-13)15(18)20-10-14(17)16-8-9-19-3/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyMABBMJYHBLAEIG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.39
Rot. Bonds8

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

[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate (PubChem CID 2603418) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
PubChem CID2603418
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H21NO5/c1-11(2)21-13-6-4-12(5-7-13)15(18)20-10-14(17)16-8-9-19-3/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyMABBMJYHBLAEIG-UHFFFAOYSA-N
XLogP1.39
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ylbenzoate
CID 2505375
[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631759
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-propan-2-yloxybenzoate
CID 2448929
[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 2520547
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603569
[2-(2-methoxyethylamino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752892
[2-(3-methoxypropylamino)-2-oxoethyl] 4-aminobenzoate
CID 60625420
N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
CID 79676602
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
[2-oxo-2-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 4-propan-2-yloxybenzoate
CID 2625173
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 18272291
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate (CID 2603418) is [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate is COCCNC(=O)COC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The InChIKey is MABBMJYHBLAEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(2)21-13-6-4-12(5-7-13)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-yloxybenzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate has a molecular weight of 295.34 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 2603418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).