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

C14H17NO5 — CID 14033044

IUPAC[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate
SMILESCCOC(=O)CN(C)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C14H17NO5/c1-3-19-13(17)9-15(2)12(16)10-20-14(18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyVPGYQOPHCDIWSQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.86
Rot. Bonds6

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

[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate (PubChem CID 14033044) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate
PubChem CID14033044
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate
SMILESCCOC(=O)CN(C)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C14H17NO5/c1-3-19-13(17)9-15(2)12(16)10-20-14(18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyVPGYQOPHCDIWSQ-UHFFFAOYSA-N
XLogP0.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate (CID 14033044) is [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate is CCOC(=O)CN(C)C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate?
The InChIKey is VPGYQOPHCDIWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-3-19-13(17)9-15(2)12(16)10-20-14(18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate?
[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate has a molecular weight of 279.29 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] benzoate is sourced from PubChem (CID 14033044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).