methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate

C13H17NO5 — CID 28638031

IUPACmethyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
SMILESCOCCOc1ccc(NC(=O)CC(=O)OC)cc1
InChIInChI=1S/C13H17NO5/c1-17-7-8-19-11-5-3-10(4-6-11)14-12(15)9-13(16)18-2/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyOMDAZMOQCYLCSN-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.21
Rot. Bonds7

About methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate

methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate (PubChem CID 28638031) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
PubChem CID28638031
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
SMILESCOCCOc1ccc(NC(=O)CC(=O)OC)cc1
InChIInChI=1S/C13H17NO5/c1-17-7-8-19-11-5-3-10(4-6-11)14-12(15)9-13(16)18-2/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyOMDAZMOQCYLCSN-UHFFFAOYSA-N
XLogP1.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119723419
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17353591
N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
CID 86981512
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
N-[4-(2-methoxyethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818436

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate?
The IUPAC name of methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate (CID 28638031) is methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate is COCCOc1ccc(NC(=O)CC(=O)OC)cc1.
What is the InChIKey of methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate?
The InChIKey is OMDAZMOQCYLCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-17-7-8-19-11-5-3-10(4-6-11)14-12(15)9-13(16)18-2/h3-6H,7-9H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate?
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate has a molecular weight of 267.28 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate is sourced from PubChem (CID 28638031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).