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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Related Compounds

dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate
CID 2463089
dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate
CID 55456118
(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
N-(2-aminoethyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 119384601
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
dimethyl 5-[(E)-4-oxo-4-phenoxybut-2-enoyl]oxybenzene-1,3-dicarboxylate
CID 130409788
2-[ethyl(methyl)amino]-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111115516
dimethyl 5-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]oxybenzene-1,3-dicarboxylate
CID 9456486
dimethyl 5-[3-[[benzyl(methyl)carbamoyl]amino]propanoyloxy]benzene-1,3-dicarboxylate
CID 56580203
dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
CID 8018328

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).