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

C13H19NO3 — CID 111912236

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C13H19NO3/c1-5-9(2)12(15)14-8-13(4,16)11-7-6-10(3)17-11/h5-7,16H,8H2,1-4H3,(H,14,15)
InChIKeyPXECLMKGHQIFOA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.88
Rot. Bonds4

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

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide (PubChem CID 111912236) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
PubChem CID111912236
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C13H19NO3/c1-5-9(2)12(15)14-8-13(4,16)11-7-6-10(3)17-11/h5-7,16H,8H2,1-4H3,(H,14,15)
InChIKeyPXECLMKGHQIFOA-UHFFFAOYSA-N
XLogP1.88
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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]prop-2-enamide
CID 126814841
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide
CID 111490839
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 111490818
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
CID 71985002
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295
(E)-2-cyano-3-(furan-2-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 111520092
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide (CID 111912236) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide is CC=C(C)C(=O)NCC(C)(O)c1ccc(C)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide?
The InChIKey is PXECLMKGHQIFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-9(2)12(15)14-8-13(4,16)11-7-6-10(3)17-11/h5-7,16H,8H2,1-4H3,(H,14,15).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide has a molecular weight of 237.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide is sourced from PubChem (CID 111912236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).