2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate

C19H22N2O6 — CID 17339123

IUPAC2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C19H22N2O6/c1-25-11-12-27-18(23)9-8-17(22)21-16-7-3-2-6-15(16)19(24)20-13-14-5-4-10-26-14/h2-7,10H,8-9,11-13H2,1H3,(H,20,24)(H,21,22)
InChIKeyHZJOUCHOJWWUGA-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.12
Rot. Bonds10

About 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate

2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate (PubChem CID 17339123) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
PubChem CID17339123
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C19H22N2O6/c1-25-11-12-27-18(23)9-8-17(22)21-16-7-3-2-6-15(16)19(24)20-13-14-5-4-10-26-14/h2-7,10H,8-9,11-13H2,1H3,(H,20,24)(H,21,22)
InChIKeyHZJOUCHOJWWUGA-UHFFFAOYSA-N
XLogP2.12
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339136
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
CID 34646854
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17339119
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate (CID 17339123) is 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate is COCCOC(=O)CCC(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate?
The InChIKey is HZJOUCHOJWWUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-25-11-12-27-18(23)9-8-17(22)21-16-7-3-2-6-15(16)19(24)20-13-14-5-4-10-26-14/h2-7,10H,8-9,11-13H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate?
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate has a molecular weight of 374.39 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate is sourced from PubChem (CID 17339123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).