[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate

C18H19NO4 — CID 2520547

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-22-12-11-19-17(20)13-23-18(21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyYQRLBYXUPFWFGC-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.27
Rot. Bonds7

About [2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate (PubChem CID 2520547) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
PubChem CID2520547
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-22-12-11-19-17(20)13-23-18(21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyYQRLBYXUPFWFGC-UHFFFAOYSA-N
XLogP2.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.27
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-tert-butylbenzoate
CID 2631759
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2505375
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603418
[2-(2-methoxyethylamino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752892
[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 30534008
[2-(3-methoxypropylamino)-2-oxoethyl] 4-aminobenzoate
CID 60625420
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 4-methylbenzoate
CID 9018182
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7373706
[2-(2-methoxyethylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617788
[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate
CID 8534586

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate (CID 2520547) is [2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate is COCCNC(=O)COC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate?
The InChIKey is YQRLBYXUPFWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-22-12-11-19-17(20)13-23-18(21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,20).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate has a molecular weight of 313.35 g/mol, XLogP of 2.27, 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-phenylbenzoate is sourced from PubChem (CID 2520547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).