2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one

C17H22N2O3 — CID 134395764

IUPAC2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one
SMILESCOCNCc1c(OCc2ccccc2)c(=O)cc(C)n1C
InChIInChI=1S/C17H22N2O3/c1-13-9-16(20)17(15(19(13)2)10-18-12-21-3)22-11-14-7-5-4-6-8-14/h4-9,18H,10-12H2,1-3H3
InChIKeyLIUOHKLGUQAXCZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.97
Rot. Bonds7

About 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one

2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one (PubChem CID 134395764) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one
PubChem CID134395764
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one
SMILESCOCNCc1c(OCc2ccccc2)c(=O)cc(C)n1C
InChIInChI=1S/C17H22N2O3/c1-13-9-16(20)17(15(19(13)2)10-18-12-21-3)22-11-14-7-5-4-6-8-14/h4-9,18H,10-12H2,1-3H3
InChIKeyLIUOHKLGUQAXCZ-UHFFFAOYSA-N
XLogP1.97
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride
CID 158782849
2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 10913107
methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 87212427
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
CID 156776485
N-cyclobutyl-1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 66658948
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide
CID 167438203
6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
CID 12011187
N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 63062517

Frequently Asked Questions

What is the IUPAC name of 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one (CID 134395764) is 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one is COCNCc1c(OCc2ccccc2)c(=O)cc(C)n1C.
What is the InChIKey of 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
The InChIKey is LIUOHKLGUQAXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-9-16(20)17(15(19(13)2)10-18-12-21-3)22-11-14-7-5-4-6-8-14/h4-9,18H,10-12H2,1-3H3.
What are the key properties of 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one has a molecular weight of 302.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 134395764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).