[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

C17H19NO6 — CID 7892996

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C17H19NO6/c1-21-10-9-18-16(19)12-23-17(20)15-8-7-14(24-15)11-22-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,18,19)
InChIKeyCYRIWRUVXBFTTJ-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.78
Rot. Bonds9

About [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 7892996) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID7892996
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C17H19NO6/c1-21-10-9-18-16(19)12-23-17(20)15-8-7-14(24-15)11-22-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,18,19)
InChIKeyCYRIWRUVXBFTTJ-UHFFFAOYSA-N
XLogP1.78
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.78
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-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 8511107
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16594643
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 39799937
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468795
[2-(2-chloroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468770
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 11918315
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468764

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (CID 7892996) is [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is COCCNC(=O)COC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is CYRIWRUVXBFTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-21-10-9-18-16(19)12-23-17(20)15-8-7-14(24-15)11-22-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,18,19).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 7892996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).