N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide

C25H28N2O3 — CID 164616406

IUPACN-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)Cc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-20-25(30-19-22-12-6-3-7-13-22)23(28)14-17-27(20)16-9-8-15-26-24(29)18-21-10-4-2-5-11-21/h2-7,10-14,17H,8-9,15-16,18-19H2,1H3,(H,26,29)
InChIKeyJNJYNJNKNCKZSN-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.87
Rot. Bonds10

About N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide

N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide (PubChem CID 164616406) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide
PubChem CID164616406
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)Cc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-20-25(30-19-22-12-6-3-7-13-22)23(28)14-17-27(20)16-9-8-15-26-24(29)18-21-10-4-2-5-11-21/h2-7,10-14,17H,8-9,15-16,18-19H2,1H3,(H,26,29)
InChIKeyJNJYNJNKNCKZSN-UHFFFAOYSA-N
XLogP3.87
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 164613614
2-Methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one
CID 164615660
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-2-fluorobenzamide
CID 27378083
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-3-fluorobenzamide
CID 27378084
N-(2-(7-((4-fluorobenzyl)oxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-2-methylbenzamide
CID 27378108
N-[(S)-1-methyl-3-phenylpropyl]-5-[(p-fluorophenyl)methoxy]-1-methyl-4-oxo-1,4-dihydro-2-pyridinecarboxamide
CID 42441382
1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide
CID 164611078
N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 164614791
2-Methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one
CID 164627921

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide?
The IUPAC name of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide (CID 164616406) is N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide is Cc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)Cc1ccccc1.
What is the InChIKey of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide?
The InChIKey is JNJYNJNKNCKZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-20-25(30-19-22-12-6-3-7-13-22)23(28)14-17-27(20)16-9-8-15-26-24(29)18-21-10-4-2-5-11-21/h2-7,10-14,17H,8-9,15-16,18-19H2,1H3,(H,26,29).
What are the key properties of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide?
N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-phenylacetamide is sourced from PubChem (CID 164616406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).