[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate

C16H23NO4 — CID 2631759

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)13-7-5-12(6-8-13)15(19)21-11-14(18)17-9-10-20-4/h5-8H,9-11H2,1-4H3,(H,17,18)
InChIKeyORHYHKONXDBRNI-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.90
Rot. Bonds6

About [2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate (PubChem CID 2631759) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
PubChem CID2631759
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)13-7-5-12(6-8-13)15(19)21-11-14(18)17-9-10-20-4/h5-8H,9-11H2,1-4H3,(H,17,18)
InChIKeyORHYHKONXDBRNI-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.90
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-phenylbenzoate
CID 2520547
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2505375
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603418
[2-(2-methoxyethylamino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752892
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7500839
4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 110297948
[2-(3-methoxypropylamino)-2-oxoethyl] 4-aminobenzoate
CID 60625420
[2-(2-methoxyethylamino)-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
CID 55427640
[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346731
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate (CID 2631759) is [2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate is COCCNC(=O)COC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate?
The InChIKey is ORHYHKONXDBRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)13-7-5-12(6-8-13)15(19)21-11-14(18)17-9-10-20-4/h5-8H,9-11H2,1-4H3,(H,17,18).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate has a molecular weight of 293.36 g/mol, XLogP of 1.90, 6 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-tert-butylbenzoate is sourced from PubChem (CID 2631759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).