[2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate

C16H17NO4 — CID 18099042

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H17NO4/c1-11-8-9-20-15(11)16(19)21-10-14(18)17-12(2)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,17,18)
InChIKeyRJLYLLMLKCWVHB-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.62
Rot. Bonds5

About [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate

[2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate (PubChem CID 18099042) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate
PubChem CID18099042
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H17NO4/c1-11-8-9-20-15(11)16(19)21-10-14(18)17-12(2)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,17,18)
InChIKeyRJLYLLMLKCWVHB-UHFFFAOYSA-N
XLogP2.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] pyridine-4-carboxylate
CID 7783953
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-iodobenzoate
CID 2509775
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(methylamino)benzoate
CID 2542963
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1H-pyrrole-2-carboxylate
CID 8544696
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-hydroxy-4-methylbenzoate
CID 2611794
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 18158100
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2661139
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2661141
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate (CID 18099042) is [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate is Cc1ccoc1C(=O)OCC(=O)NC(C)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate?
The InChIKey is RJLYLLMLKCWVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11-8-9-20-15(11)16(19)21-10-14(18)17-12(2)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,17,18).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate?
[2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate is sourced from PubChem (CID 18099042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).