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

C16H21NO4 — CID 121133032

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC(O)c2cc(C)oc2C)c(C)o1
InChIInChI=1S/C16H21NO4/c1-9-7-13(11(3)20-9)15(18)5-6-17-16(19)14-8-10(2)21-12(14)4/h7-8,15,18H,5-6H2,1-4H3,(H,17,19)
InChIKeyOHTACPHYOIARAI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.96
Rot. Bonds5

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

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 121133032) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID121133032
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC(O)c2cc(C)oc2C)c(C)o1
InChIInChI=1S/C16H21NO4/c1-9-7-13(11(3)20-9)15(18)5-6-17-16(19)14-8-10(2)21-12(14)4/h7-8,15,18H,5-6H2,1-4H3,(H,17,19)
InChIKeyOHTACPHYOIARAI-UHFFFAOYSA-N
XLogP2.96
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide (CID 121133032) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCC(O)c2cc(C)oc2C)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is OHTACPHYOIARAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-9-7-13(11(3)20-9)15(18)5-6-17-16(19)14-8-10(2)21-12(14)4/h7-8,15,18H,5-6H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 121133032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).