N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide

C11H17NO4 — CID 111481021

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C11H17NO4/c1-8-4-5-9(16-8)11(2,14)7-12-10(13)6-15-3/h4-5,14H,6-7H2,1-3H3,(H,12,13)
InChIKeyBTOYNWJGUTZJLY-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.56
Rot. Bonds5

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide (PubChem CID 111481021) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
PubChem CID111481021
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C11H17NO4/c1-8-4-5-9(16-8)11(2,14)7-12-10(13)6-15-3/h4-5,14H,6-7H2,1-3H3,(H,12,13)
InChIKeyBTOYNWJGUTZJLY-UHFFFAOYSA-N
XLogP0.56
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111520060
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
2-(1-hydroxycyclopentyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111912231
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111481633
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
CID 111481535
4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481140
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(4-nitrophenyl)acetamide
CID 111520064
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide (CID 111481021) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide is COCC(=O)NCC(C)(O)c1ccc(C)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide?
The InChIKey is BTOYNWJGUTZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8-4-5-9(16-8)11(2,14)7-12-10(13)6-15-3/h4-5,14H,6-7H2,1-3H3,(H,12,13).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide has a molecular weight of 227.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide is sourced from PubChem (CID 111481021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).