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

C16H22N2O5 — CID 17339136

IUPAC2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
SMILESCCNC(=O)c1ccccc1NC(=O)CCC(=O)OCCOC
InChIInChI=1S/C16H22N2O5/c1-3-17-16(21)12-6-4-5-7-13(12)18-14(19)8-9-15(20)23-11-10-22-2/h4-7H,3,8-11H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyTWQXIXZSXWMORC-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.34
Rot. Bonds9

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

2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate (PubChem CID 17339136) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
PubChem CID17339136
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
SMILESCCNC(=O)c1ccccc1NC(=O)CCC(=O)OCCOC
InChIInChI=1S/C16H22N2O5/c1-3-17-16(21)12-6-4-5-7-13(12)18-14(19)8-9-15(20)23-11-10-22-2/h4-7H,3,8-11H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyTWQXIXZSXWMORC-UHFFFAOYSA-N
XLogP1.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.34
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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Related Compounds

3-phenylpropyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 4949518
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17339119
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
CID 17339118
2-methoxyethyl 4-oxo-4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate
CID 17338904
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
2-methoxyethyl 4-(2,3-dimethylanilino)-4-oxobutanoate
CID 17339093
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate
CID 4923911
propyl 4-[[2-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 4933629
2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
CID 17179030
2-phenylethyl 4-oxo-4-[2-(1-phenylethylcarbamoyl)anilino]butanoate
CID 4946844

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate (CID 17339136) is 2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate is CCNC(=O)c1ccccc1NC(=O)CCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate?
The InChIKey is TWQXIXZSXWMORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-17-16(21)12-6-4-5-7-13(12)18-14(19)8-9-15(20)23-11-10-22-2/h4-7H,3,8-11H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate?
2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate has a molecular weight of 322.36 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate is sourced from PubChem (CID 17339136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).