N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide

C11H17NO3 — CID 111478975

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
SMILESCC(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C11H17NO3/c1-7-5-10(8(2)15-7)11(4,14)6-12-9(3)13/h5,14H,6H2,1-4H3,(H,12,13)
InChIKeyJIIZMDXVUKDSGT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.24
Rot. Bonds3

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide (PubChem CID 111478975) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
PubChem CID111478975
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
SMILESCC(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C11H17NO3/c1-7-5-10(8(2)15-7)11(4,14)6-12-9(3)13/h5,14H,6H2,1-4H3,(H,12,13)
InChIKeyJIIZMDXVUKDSGT-UHFFFAOYSA-N
XLogP1.24
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 96570426
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
CID 71985031
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-methylcyclohexane-1-carboxamide
CID 111479183
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
(E)-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 96567156
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide (CID 111478975) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide is CC(=O)NCC(C)(O)c1cc(C)oc1C.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide?
The InChIKey is JIIZMDXVUKDSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-5-10(8(2)15-7)11(4,14)6-12-9(3)13/h5,14H,6H2,1-4H3,(H,12,13).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide has a molecular weight of 211.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 111478975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).