N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide

C17H21NO3 — CID 24532323

IUPACN-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ccoc2)cc1
InChIInChI=1S/C17H21NO3/c1-17(2,3)14-4-6-15(7-5-14)21-11-9-18-16(19)13-8-10-20-12-13/h4-8,10,12H,9,11H2,1-3H3,(H,18,19)
InChIKeyFQQVTXAZEFFVNJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide

N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide (PubChem CID 24532323) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
PubChem CID24532323
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ccoc2)cc1
InChIInChI=1S/C17H21NO3/c1-17(2,3)14-4-6-15(7-5-14)21-11-9-18-16(19)13-8-10-20-12-13/h4-8,10,12H,9,11H2,1-3H3,(H,18,19)
InChIKeyFQQVTXAZEFFVNJ-UHFFFAOYSA-N
XLogP3.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.39
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

4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide
CID 71969635
N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide
CID 51092120
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 26662426
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
butyl 3-(furan-3-carbonylamino)propanoate
CID 112727943
N-(4,4-dimethylpentyl)furan-3-carboxamide
CID 20774387
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9490187
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
N-[2-(4-tert-butylphenoxy)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24548392

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide (CID 24532323) is N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide is CC(C)(C)c1ccc(OCCNC(=O)c2ccoc2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide?
The InChIKey is FQQVTXAZEFFVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(2,3)14-4-6-15(7-5-14)21-11-9-18-16(19)13-8-10-20-12-13/h4-8,10,12H,9,11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide?
N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide is sourced from PubChem (CID 24532323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).