N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide

C10H15NO3 — CID 106843396

IUPACN-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCCCO)o1
InChIInChI=1S/C10H15NO3/c1-8-4-5-9(14-8)10(13)11-6-2-3-7-12/h4-5,12H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyCPGQNGNRGQFAAL-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.09
Rot. Bonds5

About N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide

N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide (PubChem CID 106843396) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
PubChem CID106843396
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCCCO)o1
InChIInChI=1S/C10H15NO3/c1-8-4-5-9(14-8)10(13)11-6-2-3-7-12/h4-5,12H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyCPGQNGNRGQFAAL-UHFFFAOYSA-N
XLogP1.09
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.09
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

6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
CID 43404643
N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide
CID 77036852
5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
CID 106843281
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
N-(3-bromobutyl)-5-methylfuran-2-carboxamide
CID 114312376
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
CID 7028281
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide
CID 103772319
N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide
CID 71944466
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide (CID 106843396) is N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCCCCO)o1.
What is the InChIKey of N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide?
The InChIKey is CPGQNGNRGQFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8-4-5-9(14-8)10(13)11-6-2-3-7-12/h4-5,12H,2-3,6-7H2,1H3,(H,11,13).
What are the key properties of N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide?
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide has a molecular weight of 197.23 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 106843396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).