N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide

C19H23NO3 — CID 71919972

IUPACN-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC(C)CC(O)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(12-17(21)15-8-4-3-5-9-15)20-19(22)13-16-10-6-7-11-18(16)23-2/h3-11,14,17,21H,12-13H2,1-2H3,(H,20,22)
InChIKeySOKJJMORRBSDJD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.87
Rot. Bonds7

About N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide

N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 71919972) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID71919972
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC(C)CC(O)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(12-17(21)15-8-4-3-5-9-15)20-19(22)13-16-10-6-7-11-18(16)23-2/h3-11,14,17,21H,12-13H2,1-2H3,(H,20,22)
InChIKeySOKJJMORRBSDJD-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
N-[furan-2-yl(phenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 51217838
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
N-[1-(4-aminophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 43297450
4-amino-N-(4-hydroxy-4-phenylbutan-2-yl)butanamide
CID 119337613
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
N-[(3-chlorophenyl)-phenylmethyl]-2-(2-methoxyphenyl)acetamide
CID 55804403
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97228090
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N'-[2-(2-methoxyphenyl)acetyl]-3-methylbutanehydrazide
CID 46653047

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide (CID 71919972) is N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC(C)CC(O)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is SOKJJMORRBSDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(12-17(21)15-8-4-3-5-9-15)20-19(22)13-16-10-6-7-11-18(16)23-2/h3-11,14,17,21H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide?
N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 71919972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).