N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide

C13H21NO3 — CID 103861683

IUPACN-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCC(C)CO)c(C)o1
InChIInChI=1S/C13H21NO3/c1-9(8-15)5-4-6-14-13(16)12-7-10(2)17-11(12)3/h7,9,15H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyOTMOYBWUHVZBKB-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.03
Rot. Bonds6

About N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide

N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 103861683) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID103861683
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCC(C)CO)c(C)o1
InChIInChI=1S/C13H21NO3/c1-9(8-15)5-4-6-14-13(16)12-7-10(2)17-11(12)3/h7,9,15H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyOTMOYBWUHVZBKB-UHFFFAOYSA-N
XLogP2.03
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 71689766
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-(4-amino-4-sulfanylidenebutyl)-2,5-dimethylfuran-3-carboxamide
CID 62667359
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide (CID 103861683) is N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCCC(C)CO)c(C)o1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is OTMOYBWUHVZBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(8-15)5-4-6-14-13(16)12-7-10(2)17-11(12)3/h7,9,15H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide?
N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 103861683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).