dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate

C21H23NO6 — CID 56582607

IUPACdimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate
SMILESCCN(C)C(C(=O)Oc1cc(C(=O)OC)cc(C(=O)OC)c1)c1ccccc1
InChIInChI=1S/C21H23NO6/c1-5-22(2)18(14-9-7-6-8-10-14)21(25)28-17-12-15(19(23)26-3)11-16(13-17)20(24)27-4/h6-13,18H,5H2,1-4H3
InChIKeyQMIBFURIYLKUAC-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.86
Rot. Bonds7

About dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate

dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate (PubChem CID 56582607) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate
PubChem CID56582607
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Namedimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate
SMILESCCN(C)C(C(=O)Oc1cc(C(=O)OC)cc(C(=O)OC)c1)c1ccccc1
InChIInChI=1S/C21H23NO6/c1-5-22(2)18(14-9-7-6-8-10-14)21(25)28-17-12-15(19(23)26-3)11-16(13-17)20(24)27-4/h6-13,18H,5H2,1-4H3
InChIKeyQMIBFURIYLKUAC-UHFFFAOYSA-N
XLogP2.86
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate (CID 56582607) is dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate is CCN(C)C(C(=O)Oc1cc(C(=O)OC)cc(C(=O)OC)c1)c1ccccc1.
What is the InChIKey of dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate?
The InChIKey is QMIBFURIYLKUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-5-22(2)18(14-9-7-6-8-10-14)21(25)28-17-12-15(19(23)26-3)11-16(13-17)20(24)27-4/h6-13,18H,5H2,1-4H3.
What are the key properties of dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate?
dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate has a molecular weight of 385.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 56582607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).