ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate

C15H19NO5 — CID 117473286

IUPACethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc(OC2CN(C)C2)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-4-20-15(18)14(17)10-5-6-12(13(7-10)19-3)21-11-8-16(2)9-11/h5-7,11H,4,8-9H2,1-3H3
InChIKeyVQCNFMVHPKLGHI-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.13
Rot. Bonds6

About ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate

ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate (PubChem CID 117473286) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate
PubChem CID117473286
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc(OC2CN(C)C2)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-4-20-15(18)14(17)10-5-6-12(13(7-10)19-3)21-11-8-16(2)9-11/h5-7,11H,4,8-9H2,1-3H3
InChIKeyVQCNFMVHPKLGHI-UHFFFAOYSA-N
XLogP1.13
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
CID 117415452
ethyl 2-(3-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 91657232
ethyl 2-(3-chloro-4-cyclopropyloxyphenyl)-2-oxoacetate
CID 117425135
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
ethyl 2-(3-chloro-4-ethoxyphenyl)-2-oxoacetate
CID 91634042
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
1,4-bis(4-ethoxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione
CID 85391342
ethyl 2-[4-chloro-3-[(2S)-2-methylcyclopropyl]oxyphenyl]-2-oxoacetate
CID 142387500
3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine
CID 117415717
ethyl 2-oxo-2-(3-propan-2-yl-4-propoxyphenyl)acetate
CID 82554095
methyl 4-(4-aminocyclohexyl)oxy-3-methoxybenzoate
CID 117053323

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate (CID 117473286) is ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate is CCOC(=O)C(=O)c1ccc(OC2CN(C)C2)c(OC)c1.
What is the InChIKey of ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate?
The InChIKey is VQCNFMVHPKLGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-20-15(18)14(17)10-5-6-12(13(7-10)19-3)21-11-8-16(2)9-11/h5-7,11H,4,8-9H2,1-3H3.
What are the key properties of ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate?
ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate has a molecular weight of 293.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate is sourced from PubChem (CID 117473286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).