[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate

C16H19NO7 — CID 15616258

IUPAC[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate
SMILESCCOC(=O)CN(C)C(=O)COC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C16H19NO7/c1-4-22-15(20)9-17(3)14(19)10-23-16(21)12-7-5-6-8-13(12)24-11(2)18/h5-8H,4,9-10H2,1-3H3
InChIKeyZEMRQSGEJWXCQZ-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.79
Rot. Bonds7

About [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate

[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate (PubChem CID 15616258) has the molecular formula C16H19NO7 and a molecular weight of 337.33 g/mol. Its IUPAC name is [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate.

Molecular Properties

Compound Name[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate
PubChem CID15616258
Molecular FormulaC16H19NO7
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate
SMILESCCOC(=O)CN(C)C(=O)COC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C16H19NO7/c1-4-22-15(20)9-17(3)14(19)10-23-16(21)12-7-5-6-8-13(12)24-11(2)18/h5-8H,4,9-10H2,1-3H3
InChIKeyZEMRQSGEJWXCQZ-UHFFFAOYSA-N
XLogP0.79
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
ethyl 2-acetyloxybenzoate;pyridine
CID 174842838
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
6-(2-acetyloxybenzoyl)oxyhexyl 2-acetyloxybenzoate
CID 18720465
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9417725
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
CID 54785098
[4-(2-ethoxycarbonyloxybenzoyl)oxycyclohexyl] 2-acetyloxybenzoate
CID 89252836
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 8607609
2-[2-(2-acetyloxybenzoyl)oxyethoxy]acetic acid
CID 124895090
2-(2-acetyloxybenzoyl)oxyethyl-diethylazanium
CID 140799841

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate?
The IUPAC name of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate (CID 15616258) is [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate.
What is the SMILES notation for [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate?
The canonical SMILES for [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate is CCOC(=O)CN(C)C(=O)COC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate?
The InChIKey is ZEMRQSGEJWXCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO7/c1-4-22-15(20)9-17(3)14(19)10-23-16(21)12-7-5-6-8-13(12)24-11(2)18/h5-8H,4,9-10H2,1-3H3.
What are the key properties of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate?
[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate has a molecular weight of 337.33 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate is sourced from PubChem (CID 15616258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).