N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide

C17H22N2O4 — CID 111481199

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide
SMILESCc1ccc(C(C)(O)CNC(=O)CCCOc2cccnc2)o1
InChIInChI=1S/C17H22N2O4/c1-13-7-8-15(23-13)17(2,21)12-19-16(20)6-4-10-22-14-5-3-9-18-11-14/h3,5,7-9,11,21H,4,6,10,12H2,1-2H3,(H,19,20)
InChIKeyHKIUSMZSXJNEIU-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.17
Rot. Bonds8

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide (PubChem CID 111481199) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide
PubChem CID111481199
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide
SMILESCc1ccc(C(C)(O)CNC(=O)CCCOc2cccnc2)o1
InChIInChI=1S/C17H22N2O4/c1-13-7-8-15(23-13)17(2,21)12-19-16(20)6-4-10-22-14-5-3-9-18-11-14/h3,5,7-9,11,21H,4,6,10,12H2,1-2H3,(H,19,20)
InChIKeyHKIUSMZSXJNEIU-UHFFFAOYSA-N
XLogP2.17
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481140
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111481633
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
N-[3-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111520060
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
CID 111481535
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 111520087
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
CID 71985002

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide (CID 111481199) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide is Cc1ccc(C(C)(O)CNC(=O)CCCOc2cccnc2)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide?
The InChIKey is HKIUSMZSXJNEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-13-7-8-15(23-13)17(2,21)12-19-16(20)6-4-10-22-14-5-3-9-18-11-14/h3,5,7-9,11,21H,4,6,10,12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide has a molecular weight of 318.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide is sourced from PubChem (CID 111481199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).