2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide

C18H21NO4 — CID 19621809

IUPAC2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
SMILESCOc1cc(CO)ccc1OCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H21NO4/c1-13(15-6-4-3-5-7-15)19-18(21)12-23-16-9-8-14(11-20)10-17(16)22-2/h3-10,13,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyFYDPRFCWYBSQBF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.44
Rot. Bonds7

About 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide

2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide (PubChem CID 19621809) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
PubChem CID19621809
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
SMILESCOc1cc(CO)ccc1OCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H21NO4/c1-13(15-6-4-3-5-7-15)19-18(21)12-23-16-9-8-14(11-20)10-17(16)22-2/h3-10,13,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyFYDPRFCWYBSQBF-UHFFFAOYSA-N
XLogP2.44
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2391402
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
CID 2942651
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
2-(2-methoxyphenoxy)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 2608512
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7611853
N-tert-butyl-2-[2-methoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 40761551
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide (CID 19621809) is 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide is COc1cc(CO)ccc1OCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide?
The InChIKey is FYDPRFCWYBSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13(15-6-4-3-5-7-15)19-18(21)12-23-16-9-8-14(11-20)10-17(16)22-2/h3-10,13,20H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide?
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 19621809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).