N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide

C29H36N2O3 — CID 164614791

IUPACN-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C29H36N2O3/c1-22(2)19-24-11-13-25(14-12-24)20-28(33)30-16-7-8-17-31-18-15-27(32)29(23(31)3)34-21-26-9-5-4-6-10-26/h4-6,9-15,18,22H,7-8,16-17,19-21H2,1-3H3,(H,30,33)
InChIKeyNLLYGNFVWWPLAX-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.07
Rot. Bonds12

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

N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide (PubChem CID 164614791) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide
PubChem CID164614791
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC NameN-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C29H36N2O3/c1-22(2)19-24-11-13-25(14-12-24)20-28(33)30-16-7-8-17-31-18-15-27(32)29(23(31)3)34-21-26-9-5-4-6-10-26/h4-6,9-15,18,22H,7-8,16-17,19-21H2,1-3H3,(H,30,33)
InChIKeyNLLYGNFVWWPLAX-UHFFFAOYSA-N
XLogP5.07
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.07
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-[2-[4-[(Dimethylamino)methyl]phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 89798658
1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
1-[2-[4-(Ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71732074
N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 164613614
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-phenylacetamide
CID 164616406
2-(2-methyl-5-((2-methylbenzyl)oxy)-4-oxopyridin-1(4H)-yl)-N-phenethylacetamide
CID 16853021
N-{2-[6-(benzyloxy)-1,7-dioxo-2,4a-diaza-1,3,4,7-tetrahydro-2H-naphth-2-yl]ethyl}cyclohexylacetamide
CID 27378095
N-(2-{3-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl}ethyl)-2-methylprop-2-enamide
CID 134283988
N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440727

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide (CID 164614791) is N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide is Cc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide?
The InChIKey is NLLYGNFVWWPLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-22(2)19-24-11-13-25(14-12-24)20-28(33)30-16-7-8-17-31-18-15-27(32)29(23(31)3)34-21-26-9-5-4-6-10-26/h4-6,9-15,18,22H,7-8,16-17,19-21H2,1-3H3,(H,30,33).
What are the key properties of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide?
N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]acetamide has a molecular weight of 460.62 g/mol, XLogP of 5.07, 12 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-[4-(2-methylpropyl)phenyl]acetamide is sourced from PubChem (CID 164614791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).