1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one

C23H26N2O3 — CID 47628361

IUPAC1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one
SMILESCOCCOc1cccc(CNCc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C23H26N2O3/c1-27-13-14-28-22-6-4-5-21(15-22)17-24-16-19-8-10-20(11-9-19)18-25-12-3-2-7-23(25)26/h2-12,15,24H,13-14,16-18H2,1H3
InChIKeyGTUOPAWFEBQCHF-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.21
Rot. Bonds10

About 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one

1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one (PubChem CID 47628361) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one
PubChem CID47628361
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one
SMILESCOCCOc1cccc(CNCc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C23H26N2O3/c1-27-13-14-28-22-6-4-5-21(15-22)17-24-16-19-8-10-20(11-9-19)18-25-12-3-2-7-23(25)26/h2-12,15,24H,13-14,16-18H2,1H3
InChIKeyGTUOPAWFEBQCHF-UHFFFAOYSA-N
XLogP3.21
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803561
N-[(3-methoxyphenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024409
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide
CID 55881604
1-(4-tert-butylphenyl)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54804575
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine
CID 54855853
2-(methoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 51125144
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804574

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one (CID 47628361) is 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one is COCCOc1cccc(CNCc2ccc(Cn3ccccc3=O)cc2)c1.
What is the InChIKey of 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one?
The InChIKey is GTUOPAWFEBQCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-13-14-28-22-6-4-5-21(15-22)17-24-16-19-8-10-20(11-9-19)18-25-12-3-2-7-23(25)26/h2-12,15,24H,13-14,16-18H2,1H3.
What are the key properties of 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one?
1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 47628361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).