N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide

C16H18N2O3 — CID 110730402

IUPACN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2cccn(C)c2=O)c1
InChIInChI=1S/C16H18N2O3/c1-12-5-3-7-14(9-12)21-11-15(19)17-10-13-6-4-8-18(2)16(13)20/h3-9H,10-11H2,1-2H3,(H,17,19)
InChIKeyBFOHRCTVEBGFSV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.39
Rot. Bonds5

About N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide (PubChem CID 110730402) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide
PubChem CID110730402
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2cccn(C)c2=O)c1
InChIInChI=1S/C16H18N2O3/c1-12-5-3-7-14(9-12)21-11-15(19)17-10-13-6-4-8-18(2)16(13)20/h3-9H,10-11H2,1-2H3,(H,17,19)
InChIKeyBFOHRCTVEBGFSV-UHFFFAOYSA-N
XLogP1.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]acetamide
CID 110786230
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 37398686
diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium
CID 9073302
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 121120758
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110714847
N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110782432
2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide (CID 110730402) is N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCc2cccn(C)c2=O)c1.
What is the InChIKey of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is BFOHRCTVEBGFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-5-3-7-14(9-12)21-11-15(19)17-10-13-6-4-8-18(2)16(13)20/h3-9H,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide?
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 110730402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).