N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide

C14H23NO3 — CID 111481295

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C14H23NO3/c1-5-6-10(2)13(16)15-9-14(4,17)12-8-7-11(3)18-12/h7-8,10,17H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyQWOSWMLTBKMJBX-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.35
Rot. Bonds6

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide (PubChem CID 111481295) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
PubChem CID111481295
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C14H23NO3/c1-5-6-10(2)13(16)15-9-14(4,17)12-8-7-11(3)18-12/h7-8,10,17H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyQWOSWMLTBKMJBX-UHFFFAOYSA-N
XLogP2.35
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Ethyl-2-(furan-2-yl)-2-hydroxyethanimidic acid
CID 44778
1-Amino-2-(furan-2-yl)propan-2-ol
CID 54595271
Rac-1-(2-furyl)-2-(methylamino)ethanol
CID 11320981
1-Amino-2-(5-methylfuran-2-yl)propan-2-ol
CID 54594975
tert-butyl N-[(1R,2S)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 53315650
2-(4-Fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
N1-(2-(furan-2-yl)-2-hydroxypropyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71782606
N'-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-N-(2-methoxyethyl)ethanediamide
CID 49670526
N-(2-hydroxy-2-(5-methylfuran-2-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 49676688
N-(2-(furan-2-yl)-2-hydroxypropyl)pivalamide
CID 71782531
2-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782535
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-phenoxypropanamide
CID 71782557

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide (CID 111481295) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide is CCCC(C)C(=O)NCC(C)(O)c1ccc(C)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide?
The InChIKey is QWOSWMLTBKMJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-6-10(2)13(16)15-9-14(4,17)12-8-7-11(3)18-12/h7-8,10,17H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide has a molecular weight of 253.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide is sourced from PubChem (CID 111481295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).