[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate

C17H15NO5 — CID 8511107

IUPAC[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESC#CCNC(=O)COC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C17H15NO5/c1-2-10-18-16(19)12-22-17(20)15-9-8-14(23-15)11-21-13-6-4-3-5-7-13/h1,3-9H,10-12H2,(H,18,19)
InChIKeyRWBPPNBCAZXGNC-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.76
Rot. Bonds7

About [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate

[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 8511107) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID8511107
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESC#CCNC(=O)COC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C17H15NO5/c1-2-10-18-16(19)12-22-17(20)15-9-8-14(23-15)11-21-13-6-4-3-5-7-13/h1,3-9H,10-12H2,(H,18,19)
InChIKeyRWBPPNBCAZXGNC-UHFFFAOYSA-N
XLogP1.76
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7892996
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
[2-(2-chloroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468770
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468795
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468764
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16594643
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 11918315
[2-(3-fluoroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468702
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16519080
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate (CID 8511107) is [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate is C#CCNC(=O)COC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is RWBPPNBCAZXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-2-10-18-16(19)12-22-17(20)15-9-8-14(23-15)11-21-13-6-4-3-5-7-13/h1,3-9H,10-12H2,(H,18,19).
What are the key properties of [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 8511107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).