2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate

C17H25NO5 — CID 17339139

IUPAC2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H25NO5/c1-13(2)12-23-15-6-4-14(5-7-15)18-16(19)8-9-17(20)22-11-10-21-3/h4-7,13H,8-12H2,1-3H3,(H,18,19)
InChIKeyFTOYELITKWLWST-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.63
Rot. Bonds10

About 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate

2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate (PubChem CID 17339139) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate
PubChem CID17339139
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H25NO5/c1-13(2)12-23-15-6-4-14(5-7-15)18-16(19)8-9-17(20)22-11-10-21-3/h4-7,13H,8-12H2,1-3H3,(H,18,19)
InChIKeyFTOYELITKWLWST-UHFFFAOYSA-N
XLogP2.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-[4-(3-methylbutoxy)anilino]-4-oxobutanoate
CID 17339142
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate
CID 17339062
2-(2-methoxyethylamino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54819703
N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
CID 86981512
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031
N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide
CID 139895476
methyl 4-[3-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17079568
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate (CID 17339139) is 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate is COCCOC(=O)CCC(=O)Nc1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate?
The InChIKey is FTOYELITKWLWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-13(2)12-23-15-6-4-14(5-7-15)18-16(19)8-9-17(20)22-11-10-21-3/h4-7,13H,8-12H2,1-3H3,(H,18,19).
What are the key properties of 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate?
2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate has a molecular weight of 323.39 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate is sourced from PubChem (CID 17339139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).