2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide

C21H27NO4 — CID 55655578

IUPAC2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(O)CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO4/c1-21(2,3)16-7-11-18(12-8-16)26-14-20(24)22-13-19(23)15-5-9-17(25-4)10-6-15/h5-12,19,23H,13-14H2,1-4H3,(H,22,24)
InChIKeyGUULMOKLDGQXHX-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.22
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 55655578) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID55655578
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(O)CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO4/c1-21(2,3)16-7-11-18(12-8-16)26-14-20(24)22-13-19(23)15-5-9-17(25-4)10-6-15/h5-12,19,23H,13-14H2,1-4H3,(H,22,24)
InChIKeyGUULMOKLDGQXHX-UHFFFAOYSA-N
XLogP3.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889231
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86962574
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide
CID 109380164
(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 7045013
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977668
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide (CID 55655578) is 2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(O)CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is GUULMOKLDGQXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-21(2,3)16-7-11-18(12-8-16)26-14-20(24)22-13-19(23)15-5-9-17(25-4)10-6-15/h5-12,19,23H,13-14H2,1-4H3,(H,22,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.22, 7 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-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55655578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).