N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide

C21H27N3O4 — CID 121238918

IUPACN-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2c(C)n(CCC(C)C)ccc2=O)cc1
InChIInChI=1S/C21H27N3O4/c1-14(2)9-11-24-12-10-19(26)21(15(24)3)28-13-20(27)23-18-7-5-17(6-8-18)22-16(4)25/h5-8,10,12,14H,9,11,13H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyFDAMSFTVSFISQX-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.18
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide

N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide (PubChem CID 121238918) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
PubChem CID121238918
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2c(C)n(CCC(C)C)ccc2=O)cc1
InChIInChI=1S/C21H27N3O4/c1-14(2)9-11-24-12-10-19(26)21(15(24)3)28-13-20(27)23-18-7-5-17(6-8-18)22-16(4)25/h5-8,10,12,14H,9,11,13H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyFDAMSFTVSFISQX-UHFFFAOYSA-N
XLogP3.18
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxy]acetamide
CID 51043579
2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
CID 121240049
N-(2,5-dichlorophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
CID 125432382
2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 52897996
N-(3,5-dimethoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52898655
N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide
CID 84572452
N-(3-chloro-4-methoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52900780
2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
CID 125431727
N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4899815
N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572442
N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572032
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide (CID 121238918) is N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide is CC(=O)Nc1ccc(NC(=O)COc2c(C)n(CCC(C)C)ccc2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide?
The InChIKey is FDAMSFTVSFISQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14(2)9-11-24-12-10-19(26)21(15(24)3)28-13-20(27)23-18-7-5-17(6-8-18)22-16(4)25/h5-8,10,12,14H,9,11,13H2,1-4H3,(H,22,25)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide?
N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide has a molecular weight of 385.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 121238918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).