2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate

C18H24N2O6 — CID 17194785

IUPAC2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O6/c1-24-12-13-26-17(22)7-6-16(21)19-15-4-2-14(3-5-15)18(23)20-8-10-25-11-9-20/h2-5H,6-13H2,1H3,(H,19,21)
InChIKeyYLEJJWAZHQSQOE-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.07
Rot. Bonds8

About 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate

2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate (PubChem CID 17194785) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate
PubChem CID17194785
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O6/c1-24-12-13-26-17(22)7-6-16(21)19-15-4-2-14(3-5-15)18(23)20-8-10-25-11-9-20/h2-5H,6-13H2,1H3,(H,19,21)
InChIKeyYLEJJWAZHQSQOE-UHFFFAOYSA-N
XLogP1.07
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoate
CID 17199104
5-[4-(morpholine-4-carbonyl)anilino]-5-oxopentanoate
CID 6953068
2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate
CID 17339062
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
2-(2,6-dimethylanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54818171
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate (CID 17194785) is 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate is COCCOC(=O)CCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate?
The InChIKey is YLEJJWAZHQSQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-24-12-13-26-17(22)7-6-16(21)19-15-4-2-14(3-5-15)18(23)20-8-10-25-11-9-20/h2-5H,6-13H2,1H3,(H,19,21).
What are the key properties of 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate?
2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate has a molecular weight of 364.40 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate is sourced from PubChem (CID 17194785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).