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

C13H21NO4 — CID 71985033

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C13H21NO4/c1-5-17-7-12(15)14-8-13(4,16)11-6-9(2)18-10(11)3/h6,16H,5,7-8H2,1-4H3,(H,14,15)
InChIKeyFWBPFSSEABWEBQ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.26
Rot. Bonds6

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

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide (PubChem CID 71985033) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
PubChem CID71985033
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C13H21NO4/c1-5-17-7-12(15)14-8-13(4,16)11-6-9(2)18-10(11)3/h6,16H,5,7-8H2,1-4H3,(H,14,15)
InChIKeyFWBPFSSEABWEBQ-UHFFFAOYSA-N
XLogP1.26
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2370446
[2-(Butylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2435792
1-Amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol
CID 54594974
2-ethoxy-N-(3-(furan-3-yl)-3-hydroxypropyl)acetamide
CID 71804393
2-(2-Fluorophenoxy)-N-[3-(furan-3-YL)-3-hydroxypropyl]acetamide
CID 71804419
N-(3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl)-2-(o-tolyloxy)acetamide
CID 71804529
N-[3-(2,5-Dimethylfuran-3-YL)-3-hydroxypropyl]-2-(2-fluorophenoxy)acetamide
CID 71804531
tert-butyl N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]carbamate
CID 71911264
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
CID 71985031
5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 71990743
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methylpropoxy)propanamide
CID 72116809
N-[(R)-2-(3-furyl)-2-hydroxyethyl](p-fluorophenoxy)acetamide
CID 95986591

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide (CID 71985033) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide is CCOCC(=O)NCC(C)(O)c1cc(C)oc1C.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide?
The InChIKey is FWBPFSSEABWEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-5-17-7-12(15)14-8-13(4,16)11-6-9(2)18-10(11)3/h6,16H,5,7-8H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide has a molecular weight of 255.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide is sourced from PubChem (CID 71985033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).