N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide

C19H23NO4 — CID 6544251

IUPACN-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)COc2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H23NO4/c1-4-13(2)14-5-10-17(18(21)11-14)20-19(22)12-24-16-8-6-15(23-3)7-9-16/h5-11,13,21H,4,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyVNEKOJZTJAFXGE-CYBMUJFWSA-N
MW329.40 g/mol
LogP3.93
Rot. Bonds7

About N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide

N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 6544251) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID6544251
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)COc2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H23NO4/c1-4-13(2)14-5-10-17(18(21)11-14)20-19(22)12-24-16-8-6-15(23-3)7-9-16/h5-11,13,21H,4,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyVNEKOJZTJAFXGE-CYBMUJFWSA-N
XLogP3.93
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 21209219
N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide
CID 4623052
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
CID 40553112
N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-3,5-dimethoxybenzamide
CID 26788153
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 7321326
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 53269183
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide (CID 6544251) is N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide is CC[C@@H](C)c1ccc(NC(=O)COc2ccc(OC)cc2)c(O)c1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is VNEKOJZTJAFXGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-13(2)14-5-10-17(18(21)11-14)20-19(22)12-24-16-8-6-15(23-3)7-9-16/h5-11,13,21H,4,12H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide?
N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 329.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 6544251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).