N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide

C15H21NO3 — CID 110410171

IUPACN-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CC1CCCCO1
InChIInChI=1S/C15H21NO3/c1-18-14-8-3-2-6-12(14)11-16-15(17)10-13-7-4-5-9-19-13/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H,16,17)
InChIKeyPPZXKZZYLXXDII-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.27
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide (PubChem CID 110410171) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
PubChem CID110410171
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CC1CCCCO1
InChIInChI=1S/C15H21NO3/c1-18-14-8-3-2-6-12(14)11-16-15(17)10-13-7-4-5-9-19-13/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H,16,17)
InChIKeyPPZXKZZYLXXDII-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94029080
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 94125516
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138447
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110622426
N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60501069
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94484955
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 56500927
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide (CID 110410171) is N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide is COc1ccccc1CNC(=O)CC1CCCCO1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide?
The InChIKey is PPZXKZZYLXXDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-14-8-3-2-6-12(14)11-16-15(17)10-13-7-4-5-9-19-13/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110410171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).