N-butyl-5-phenoxyfuran-2-carboxamide

C15H17NO3 — CID 127265058

IUPACN-butyl-5-phenoxyfuran-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-2-3-11-16-15(17)13-9-10-14(19-13)18-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3,(H,16,17)
InChIKeyHOGTUWRHGITUKR-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.60
Rot. Bonds6

About N-butyl-5-phenoxyfuran-2-carboxamide

N-butyl-5-phenoxyfuran-2-carboxamide (PubChem CID 127265058) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-butyl-5-phenoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-phenoxyfuran-2-carboxamide
PubChem CID127265058
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-butyl-5-phenoxyfuran-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-2-3-11-16-15(17)13-9-10-14(19-13)18-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3,(H,16,17)
InChIKeyHOGTUWRHGITUKR-UHFFFAOYSA-N
XLogP3.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846
N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide
CID 91938782
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-phenoxyfuran-2-carboxamide
CID 70658082
5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119392648
N-(2-hydroxyethyl)-5-(4-methylphenoxy)furan-2-carboxamide
CID 71690489
[5-(tetradecylcarbamoyl)furan-2-yl] methanesulfonate
CID 175419711
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 90651689
N-[(3-carbamoylphenyl)methyl]-5-phenoxyfuran-2-carboxamide
CID 71863392
benzyl-[(4-methoxyphenyl)methyl]-[[5-(pentylcarbamoyl)furan-2-yl]methyl]azanium
CID 7218719
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-butyl-5-sulfamoylfuran-2-carboxamide
CID 47175951

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-phenoxyfuran-2-carboxamide?
The IUPAC name of N-butyl-5-phenoxyfuran-2-carboxamide (CID 127265058) is N-butyl-5-phenoxyfuran-2-carboxamide.
What is the SMILES notation for N-butyl-5-phenoxyfuran-2-carboxamide?
The canonical SMILES for N-butyl-5-phenoxyfuran-2-carboxamide is CCCCNC(=O)c1ccc(Oc2ccccc2)o1.
What is the InChIKey of N-butyl-5-phenoxyfuran-2-carboxamide?
The InChIKey is HOGTUWRHGITUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-3-11-16-15(17)13-9-10-14(19-13)18-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3,(H,16,17).
What are the key properties of N-butyl-5-phenoxyfuran-2-carboxamide?
N-butyl-5-phenoxyfuran-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-phenoxyfuran-2-carboxamide is sourced from PubChem (CID 127265058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).