N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide

C19H25NO3 — CID 56689935

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccco2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H25NO3/c1-18(2,3)13-10-12(11-14(16(13)21)19(4,5)6)20-17(22)15-8-7-9-23-15/h7-11,21H,1-6H3,(H,20,22)
InChIKeyZCEHBAUFSOOQNL-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.83
Rot. Bonds2

About N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide

N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide (PubChem CID 56689935) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide
PubChem CID56689935
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccco2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H25NO3/c1-18(2,3)13-10-12(11-14(16(13)21)19(4,5)6)20-17(22)15-8-7-9-23-15/h7-11,21H,1-6H3,(H,20,22)
InChIKeyZCEHBAUFSOOQNL-UHFFFAOYSA-N
XLogP4.83
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 4829465
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
CID 56697988
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226
N-(3-bromo-5-methylphenyl)furan-2-carboxamide
CID 110604733
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone
CID 12060185
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide (CID 56689935) is N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccco2)cc(C(C)(C)C)c1O.
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide?
The InChIKey is ZCEHBAUFSOOQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-18(2,3)13-10-12(11-14(16(13)21)19(4,5)6)20-17(22)15-8-7-9-23-15/h7-11,21H,1-6H3,(H,20,22).
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide?
N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 56689935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).