dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate

C14H19NO5 — CID 595782

IUPACdimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate
SMILESCCN(C)c1ccc(C(O)(C(=O)OC)C(=O)OC)cc1
InChIInChI=1S/C14H19NO5/c1-5-15(2)11-8-6-10(7-9-11)14(18,12(16)19-3)13(17)20-4/h6-9,18H,5H2,1-4H3
InChIKeyQESYAHBXGLBZAC-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.68
Rot. Bonds5

About dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate

dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate (PubChem CID 595782) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate.

Molecular Properties

Compound Namedimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate
PubChem CID595782
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namedimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate
SMILESCCN(C)c1ccc(C(O)(C(=O)OC)C(=O)OC)cc1
InChIInChI=1S/C14H19NO5/c1-5-15(2)11-8-6-10(7-9-11)14(18,12(16)19-3)13(17)20-4/h6-9,18H,5H2,1-4H3
InChIKeyQESYAHBXGLBZAC-UHFFFAOYSA-N
XLogP0.68
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[4-(dimethylamino)phenyl]-2-hydroxypropanedioate
CID 2750049
diethyl 2-[4-(diethylamino)phenyl]-2-hydroxypropanedioate
CID 2750043
methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate
CID 54880686
N-ethyl-N,4-dimethylaniline
CID 3036494
methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate
CID 62650602
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
CID 159995939
[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate
CID 86960880
methyl 2,2-dimethyl-3-(N-methyl-4-propan-2-ylanilino)propanoate
CID 115233613
methyl 2,2-dimethyl-3-(N-methyl-4-methylsulfanylanilino)propanoate
CID 115233640
methyl 2-chloro-2-[methyl-(4-methylphenyl)carbamoyl]butanoate
CID 139208848
methyl 2-hydroxy-4,4-dimethyl-3-oxo-2-phenylpentanoate
CID 24976781
1-O-[2-[4-[1,1-bis[4-(dimethylamino)phenyl]ethyl]-N-methylanilino]ethyl] 5-O-methyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 158943234

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate?
The IUPAC name of dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate (CID 595782) is dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate.
What is the SMILES notation for dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate?
The canonical SMILES for dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate is CCN(C)c1ccc(C(O)(C(=O)OC)C(=O)OC)cc1.
What is the InChIKey of dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate?
The InChIKey is QESYAHBXGLBZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-5-15(2)11-8-6-10(7-9-11)14(18,12(16)19-3)13(17)20-4/h6-9,18H,5H2,1-4H3.
What are the key properties of dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate?
dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate has a molecular weight of 281.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate is sourced from PubChem (CID 595782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).