2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate

C15H21FN2O4 — CID 151980329

IUPAC2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate
SMILESCNC(=O)c1ccc(NC(C)(C)C(=O)OCCOC)cc1F
InChIInChI=1S/C15H21FN2O4/c1-15(2,14(20)22-8-7-21-4)18-10-5-6-11(12(16)9-10)13(19)17-3/h5-6,9,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyUCNQAFMQUPTMMJ-UHFFFAOYSA-N
MW312.34 g/mol
LogP1.57
Rot. Bonds7

About 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate

2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate (PubChem CID 151980329) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate
PubChem CID151980329
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC Name2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate
SMILESCNC(=O)c1ccc(NC(C)(C)C(=O)OCCOC)cc1F
InChIInChI=1S/C15H21FN2O4/c1-15(2,14(20)22-8-7-21-4)18-10-5-6-11(12(16)9-10)13(19)17-3/h5-6,9,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyUCNQAFMQUPTMMJ-UHFFFAOYSA-N
XLogP1.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate?
The IUPAC name of 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate (CID 151980329) is 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate.
What is the SMILES notation for 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate?
The canonical SMILES for 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate is CNC(=O)c1ccc(NC(C)(C)C(=O)OCCOC)cc1F.
What is the InChIKey of 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate?
The InChIKey is UCNQAFMQUPTMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-15(2,14(20)22-8-7-21-4)18-10-5-6-11(12(16)9-10)13(19)17-3/h5-6,9,18H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate?
2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate has a molecular weight of 312.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate is sourced from PubChem (CID 151980329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).