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

C15H25NO3 — CID 121133019

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCC(O)c1cc(C)oc1C
InChIInChI=1S/C15H25NO3/c1-5-12(6-2)15(18)16-8-7-14(17)13-9-10(3)19-11(13)4/h9,12,14,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyTYNAPMHQZLBCBM-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.87
Rot. Bonds7

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

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide (PubChem CID 121133019) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
PubChem CID121133019
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCC(O)c1cc(C)oc1C
InChIInChI=1S/C15H25NO3/c1-5-12(6-2)15(18)16-8-7-14(17)13-9-10(3)19-11(13)4/h9,12,14,17H,5-8H2,1-4H3,(H,16,18)
InChIKeyTYNAPMHQZLBCBM-UHFFFAOYSA-N
XLogP2.87
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.87
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]-2-ethylbutanamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide (CID 121133019) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCC(O)c1cc(C)oc1C.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide?
The InChIKey is TYNAPMHQZLBCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-12(6-2)15(18)16-8-7-14(17)13-9-10(3)19-11(13)4/h9,12,14,17H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 2.87, 7 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]-2-ethylbutanamide is sourced from PubChem (CID 121133019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).