2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide

C18H23NO4 — CID 110889231

IUPAC2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C18H23NO4/c1-18(2,3)13-6-8-14(9-7-13)23-12-17(21)19-11-15(20)16-5-4-10-22-16/h4-10,15,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyHQHTWULMIIYMTD-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.81
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide (PubChem CID 110889231) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
PubChem CID110889231
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C18H23NO4/c1-18(2,3)13-6-8-14(9-7-13)23-12-17(21)19-11-15(20)16-5-4-10-22-16/h4-10,15,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyHQHTWULMIIYMTD-UHFFFAOYSA-N
XLogP2.81
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 110889182
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268
2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 55655578
2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
CID 122265612
2-(2-ethylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 86981092
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111475157
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 35579383

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide (CID 110889231) is 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCC(O)c2ccco2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
The InChIKey is HQHTWULMIIYMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-18(2,3)13-6-8-14(9-7-13)23-12-17(21)19-11-15(20)16-5-4-10-22-16/h4-10,15,20H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 110889231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).