N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide

C11H16BrNO3 — CID 106244866

IUPACN-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide
SMILESCOCC(Br)CCNC(=O)c1occc1C
InChIInChI=1S/C11H16BrNO3/c1-8-4-6-16-10(8)11(14)13-5-3-9(12)7-15-2/h4,6,9H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyXEHMDITYNKCHEU-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.12
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide

N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide (PubChem CID 106244866) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide
PubChem CID106244866
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC NameN-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide
SMILESCOCC(Br)CCNC(=O)c1occc1C
InChIInChI=1S/C11H16BrNO3/c1-8-4-6-16-10(8)11(14)13-5-3-9(12)7-15-2/h4,6,9H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyXEHMDITYNKCHEU-UHFFFAOYSA-N
XLogP2.12
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106245346
N-(3-bromo-4-methoxybutyl)-2-hydroxy-3-methylbenzamide
CID 106245322
N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide
CID 106245303
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135
N-(3-bromo-4-methoxybutyl)-5-fluoro-2-methylbenzamide
CID 106244956
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
N-(3-bromo-4-methoxybutyl)-2-methylpyridine-4-carboxamide
CID 106244762
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide (CID 106244866) is N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide is COCC(Br)CCNC(=O)c1occc1C.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide?
The InChIKey is XEHMDITYNKCHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-8-4-6-16-10(8)11(14)13-5-3-9(12)7-15-2/h4,6,9H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide?
N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide has a molecular weight of 290.16 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 106244866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).