N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide

C15H17NO4 — CID 67938945

IUPACN-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide
SMILESCC(C1=CC(=O)OC1O)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C15H17NO4/c1-10(12-9-14(18)20-15(12)19)16(2)13(17)8-11-6-4-3-5-7-11/h3-7,9-10,15,19H,8H2,1-2H3
InChIKeyALGJWXKRFFMOKN-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.88
Rot. Bonds4

About N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide

N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide (PubChem CID 67938945) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide
PubChem CID67938945
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide
SMILESCC(C1=CC(=O)OC1O)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C15H17NO4/c1-10(12-9-14(18)20-15(12)19)16(2)13(17)8-11-6-4-3-5-7-11/h3-7,9-10,15,19H,8H2,1-2H3
InChIKeyALGJWXKRFFMOKN-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide?
The IUPAC name of N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide (CID 67938945) is N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide is CC(C1=CC(=O)OC1O)N(C)C(=O)Cc1ccccc1.
What is the InChIKey of N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide?
The InChIKey is ALGJWXKRFFMOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(12-9-14(18)20-15(12)19)16(2)13(17)8-11-6-4-3-5-7-11/h3-7,9-10,15,19H,8H2,1-2H3.
What are the key properties of N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide?
N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide has a molecular weight of 275.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 67938945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).