2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate

C18H26N2O5 — CID 17339119

IUPAC2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H26N2O5/c1-18(2,3)20-17(23)13-7-5-6-8-14(13)19-15(21)9-10-16(22)25-12-11-24-4/h5-8H,9-12H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyWRLXQGMDKBHTRB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.12
Rot. Bonds8

About 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate

2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate (PubChem CID 17339119) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
PubChem CID17339119
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H26N2O5/c1-18(2,3)20-17(23)13-7-5-6-8-14(13)19-15(21)9-10-16(22)25-12-11-24-4/h5-8H,9-12H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyWRLXQGMDKBHTRB-UHFFFAOYSA-N
XLogP2.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.12
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

2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339136
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
CID 17339118
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149
N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
CID 56782844
2-methoxyethyl 4-oxo-4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate
CID 17338904
3-phenylpropyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 4949518
2-methoxyethyl 4-(2,3-dimethylanilino)-4-oxobutanoate
CID 17339093
2-phenylethyl 4-oxo-4-[2-(1-phenylethylcarbamoyl)anilino]butanoate
CID 4946844
2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate
CID 2991099

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate (CID 17339119) is 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate is COCCOC(=O)CCC(=O)Nc1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate?
The InChIKey is WRLXQGMDKBHTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-18(2,3)20-17(23)13-7-5-6-8-14(13)19-15(21)9-10-16(22)25-12-11-24-4/h5-8H,9-12H2,1-4H3,(H,19,21)(H,20,23).
What are the key properties of 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate?
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate has a molecular weight of 350.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate is sourced from PubChem (CID 17339119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).