2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide

C16H19NO4 — CID 111562734

IUPAC2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
SMILESCOCC(NC(=O)C(O)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C16H19NO4/c1-11-8-9-14(21-11)13(10-20-2)17-16(19)15(18)12-6-4-3-5-7-12/h3-9,13,15,18H,10H2,1-2H3,(H,17,19)
InChIKeyVRWDTMZDJXTWQW-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.13
Rot. Bonds6

About 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide

2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide (PubChem CID 111562734) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
PubChem CID111562734
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
SMILESCOCC(NC(=O)C(O)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C16H19NO4/c1-11-8-9-14(21-11)13(10-20-2)17-16(19)15(18)12-6-4-3-5-7-12/h3-9,13,15,18H,10H2,1-2H3,(H,17,19)
InChIKeyVRWDTMZDJXTWQW-UHFFFAOYSA-N
XLogP2.13
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 110884058
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673694
N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 171359773
1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
CID 124844778
4-[[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122004789
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671
3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]-5-nitrobenzoic acid
CID 119185523
4-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]benzoic acid
CID 120552756
1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
CID 166220168

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide (CID 111562734) is 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide is COCC(NC(=O)C(O)c1ccccc1)c1ccc(C)o1.
What is the InChIKey of 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is VRWDTMZDJXTWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-8-9-14(21-11)13(10-20-2)17-16(19)15(18)12-6-4-3-5-7-12/h3-9,13,15,18H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide?
2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 289.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 111562734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).