N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide

C25H27ClN2O5 — CID 84572169

IUPACN-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OC(C)C(=O)Nc3cccc(Cl)c3C)c2C)cc1
InChIInChI=1S/C25H27ClN2O5/c1-16-21(26)6-5-7-22(16)27-25(30)18(3)33-24-17(2)28(13-12-23(24)29)14-15-32-20-10-8-19(31-4)9-11-20/h5-13,18H,14-15H2,1-4H3,(H,27,30)
InChIKeyYQLWHRSZCDYAFX-UHFFFAOYSA-N
MW470.95 g/mol
LogP4.61
Rot. Bonds9

About N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide

N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide (PubChem CID 84572169) has the molecular formula C25H27ClN2O5 and a molecular weight of 470.95 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide
PubChem CID84572169
Molecular FormulaC25H27ClN2O5
Molecular Weight470.95 g/mol
Exact Mass470.16
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide
SMILESCOc1ccc(OCCn2ccc(=O)c(OC(C)C(=O)Nc3cccc(Cl)c3C)c2C)cc1
InChIInChI=1S/C25H27ClN2O5/c1-16-21(26)6-5-7-22(16)27-25(30)18(3)33-24-17(2)28(13-12-23(24)29)14-15-32-20-10-8-19(31-4)9-11-20/h5-13,18H,14-15H2,1-4H3,(H,27,30)
InChIKeyYQLWHRSZCDYAFX-UHFFFAOYSA-N
XLogP4.61
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.95
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide with MolForge

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572032
N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide
CID 84572452
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-prop-2-ynoxypyridin-4-one
CID 84572566
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one
CID 84572379
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
CID 8886627
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8953446
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46485516
(2S)-N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 2224879

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide (CID 84572169) is N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide is COc1ccc(OCCn2ccc(=O)c(OC(C)C(=O)Nc3cccc(Cl)c3C)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide?
The InChIKey is YQLWHRSZCDYAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5/c1-16-21(26)6-5-7-22(16)27-25(30)18(3)33-24-17(2)28(13-12-23(24)29)14-15-32-20-10-8-19(31-4)9-11-20/h5-13,18H,14-15H2,1-4H3,(H,27,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide?
N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide has a molecular weight of 470.95 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]propanamide is sourced from PubChem (CID 84572169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).