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

C12H19NO3 — CID 121133006

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
SMILESCCC(=O)NCCC(O)c1cc(C)oc1C
InChIInChI=1S/C12H19NO3/c1-4-12(15)13-6-5-11(14)10-7-8(2)16-9(10)3/h7,11,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyTVOQAXTZMUAYNS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.85
Rot. Bonds5

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

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide (PubChem CID 121133006) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
PubChem CID121133006
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
SMILESCCC(=O)NCCC(O)c1cc(C)oc1C
InChIInChI=1S/C12H19NO3/c1-4-12(15)13-6-5-11(14)10-7-8(2)16-9(10)3/h7,11,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyTVOQAXTZMUAYNS-UHFFFAOYSA-N
XLogP1.85
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide (CID 121133006) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide is CCC(=O)NCCC(O)c1cc(C)oc1C.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide?
The InChIKey is TVOQAXTZMUAYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-12(15)13-6-5-11(14)10-7-8(2)16-9(10)3/h7,11,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide has a molecular weight of 225.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide is sourced from PubChem (CID 121133006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).