N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide

C17H21NO4 — CID 110889182

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C17H21NO4/c1-12(2)13-5-7-14(8-6-13)22-11-17(20)18-10-15(19)16-4-3-9-21-16/h3-9,12,15,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyKIRWQIVNMALKAC-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 110889182) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID110889182
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C17H21NO4/c1-12(2)13-5-7-14(8-6-13)22-11-17(20)18-10-15(19)16-4-3-9-21-16/h3-9,12,15,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyKIRWQIVNMALKAC-UHFFFAOYSA-N
XLogP2.63
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268
2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889231
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 71782438
2-(2-ethylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 86981092
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-methoxyphenyl)propanamide
CID 111108626
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 78868669
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
N-(furan-3-ylmethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 47034243
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 110889182) is N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCC(O)c2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is KIRWQIVNMALKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12(2)13-5-7-14(8-6-13)22-11-17(20)18-10-15(19)16-4-3-9-21-16/h3-9,12,15,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 110889182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).