N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide

C25H28N2O5 — CID 84572212

IUPACN-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OCC(=O)N(C)Cc3ccccc3)c2C)cc1
InChIInChI=1S/C25H28N2O5/c1-19-25(32-18-24(29)26(2)17-20-7-5-4-6-8-20)23(28)13-14-27(19)15-16-31-22-11-9-21(30-3)10-12-22/h4-14H,15-18H2,1-3H3
InChIKeyDQYACCRADOEKBR-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.28
Rot. Bonds10

About N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide

N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide (PubChem CID 84572212) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide
PubChem CID84572212
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC NameN-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OCC(=O)N(C)Cc3ccccc3)c2C)cc1
InChIInChI=1S/C25H28N2O5/c1-19-25(32-18-24(29)26(2)17-20-7-5-4-6-8-20)23(28)13-14-27(19)15-16-31-22-11-9-21(30-3)10-12-22/h4-14H,15-18H2,1-3H3
InChIKeyDQYACCRADOEKBR-UHFFFAOYSA-N
XLogP3.28
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide (CID 84572212) is N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide is COc1ccc(OCCn2ccc(=O)c(OCC(=O)N(C)Cc3ccccc3)c2C)cc1.
What is the InChIKey of N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide?
The InChIKey is DQYACCRADOEKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-19-25(32-18-24(29)26(2)17-20-7-5-4-6-8-20)23(28)13-14-27(19)15-16-31-22-11-9-21(30-3)10-12-22/h4-14H,15-18H2,1-3H3.
What are the key properties of N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide?
N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide has a molecular weight of 436.51 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide is sourced from PubChem (CID 84572212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).