2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide

C17H21NO3 — CID 51141583

IUPAC2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1cccc(OCC(=O)NCc2ccco2)c1
InChIInChI=1S/C17H21NO3/c1-17(2,3)13-6-4-7-14(10-13)21-12-16(19)18-11-15-8-5-9-20-15/h4-10H,11-12H2,1-3H3,(H,18,19)
InChIKeyMFHGVUSBWSJMPI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.27
Rot. Bonds5

About 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide

2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 51141583) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID51141583
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1cccc(OCC(=O)NCc2ccco2)c1
InChIInChI=1S/C17H21NO3/c1-17(2,3)13-6-4-7-14(10-13)21-12-16(19)18-11-15-8-5-9-20-15/h4-10H,11-12H2,1-3H3,(H,18,19)
InChIKeyMFHGVUSBWSJMPI-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 7671527
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
N-(furan-2-ylmethyl)-2-quinoxalin-6-yloxyacetamide
CID 51362583
2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7721428
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
N-[2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110733552
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 95973166
4-tert-butyl-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 5440236
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 30039326

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 51141583) is 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide is CC(C)(C)c1cccc(OCC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is MFHGVUSBWSJMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(2,3)13-6-4-7-14(10-13)21-12-16(19)18-11-15-8-5-9-20-15/h4-10H,11-12H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51141583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).