N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide

C14H19NO3 — CID 125462794

IUPACN-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide
SMILESCN(Cc1cccc(O)c1)C(=O)C[C@H]1CCOC1
InChIInChI=1S/C14H19NO3/c1-15(9-11-3-2-4-13(16)7-11)14(17)8-12-5-6-18-10-12/h2-4,7,12,16H,5-6,8-10H2,1H3/t12-/m1/s1
InChIKeyLEDJLUGZQBQJTJ-GFCCVEGCSA-N
MW249.31 g/mol
LogP1.78
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide

N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide (PubChem CID 125462794) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide
PubChem CID125462794
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide
SMILESCN(Cc1cccc(O)c1)C(=O)C[C@H]1CCOC1
InChIInChI=1S/C14H19NO3/c1-15(9-11-3-2-4-13(16)7-11)14(17)8-12-5-6-18-10-12/h2-4,7,12,16H,5-6,8-10H2,1H3/t12-/m1/s1
InChIKeyLEDJLUGZQBQJTJ-GFCCVEGCSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 79610332
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66427007
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide
CID 131925768
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-methyl-2-[(3S)-oxolan-3-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 126444596
N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide
CID 119069905
3-[3-[[methyl(oxolane-3-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907362
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237533
3-ethyl-2-[(3-hydroxyphenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383423
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide (CID 125462794) is N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide is CN(Cc1cccc(O)c1)C(=O)C[C@H]1CCOC1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide?
The InChIKey is LEDJLUGZQBQJTJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(9-11-3-2-4-13(16)7-11)14(17)8-12-5-6-18-10-12/h2-4,7,12,16H,5-6,8-10H2,1H3/t12-/m1/s1.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide?
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide is sourced from PubChem (CID 125462794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).