N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide

C19H25NO3 — CID 26662426

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)o1
InChIInChI=1S/C19H25NO3/c1-13-12-17(14(2)23-13)18(21)20-10-11-22-16-8-6-15(7-9-16)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,21)
InChIKeyFCXVENOCEGXXRM-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 26662426) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID26662426
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)o1
InChIInChI=1S/C19H25NO3/c1-13-12-17(14(2)23-13)18(21)20-10-11-22-16-8-6-15(7-9-16)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,21)
InChIKeyFCXVENOCEGXXRM-UHFFFAOYSA-N
XLogP4.00
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.00
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-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4787903
N-[2-(4-tert-butylphenoxy)ethyl]-2-methylsulfonylbenzamide
CID 31308822
N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
CID 24532323
N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 51122290
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55873980
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24548378
3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
CID 60545386
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 26662426) is N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)o1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FCXVENOCEGXXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-12-17(14(2)23-13)18(21)20-10-11-22-16-8-6-15(7-9-16)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,21).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 4.00, 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]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 26662426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).