N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide

C15H16N2O5 — CID 75381752

IUPACN-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide
SMILESCC(CC(O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O5/c1-10(9-12(18)11-5-3-2-4-6-11)16-15(19)13-7-8-14(22-13)17(20)21/h2-8,10,12,18H,9H2,1H3,(H,16,19)
InChIKeyAZYKOCRDTNBZMY-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.43
Rot. Bonds6

About N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide

N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide (PubChem CID 75381752) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide
PubChem CID75381752
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC NameN-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide
SMILESCC(CC(O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O5/c1-10(9-12(18)11-5-3-2-4-6-11)16-15(19)13-7-8-14(22-13)17(20)21/h2-8,10,12,18H,9H2,1H3,(H,16,19)
InChIKeyAZYKOCRDTNBZMY-UHFFFAOYSA-N
XLogP2.43
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 97019509
N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
CID 63887141
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-[(1S)-1-(3-acetamidophenyl)ethyl]-5-nitrofuran-2-carboxamide
CID 37468714
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 5-nitrofuran-2-carboxylate
CID 2510937
(2R)-3,3-dimethyl-2-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 93054958
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]-5-nitrofuran-2-carboxamide
CID 51082850
5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 51150524
tert-butyl (2R)-2-[(5-nitrofuran-2-carbonyl)amino]propanoate
CID 81003533
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide
CID 107157274

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide (CID 75381752) is N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide is CC(CC(O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is AZYKOCRDTNBZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-10(9-12(18)11-5-3-2-4-6-11)16-15(19)13-7-8-14(22-13)17(20)21/h2-8,10,12,18H,9H2,1H3,(H,16,19).
What are the key properties of N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide?
N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 75381752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).