1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one

C24H26N2O3 — CID 53320117

IUPAC1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCCC1COc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C24H26N2O3/c1-25-14-5-8-21(25)18-29-22-11-9-20(10-12-22)26-15-13-23(16-24(26)27)28-17-19-6-3-2-4-7-19/h2-4,6-7,9-13,15-16,21H,5,8,14,17-18H2,1H3
InChIKeyJTXZPQNLRJKZDT-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.89
Rot. Bonds7

About 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one

1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 53320117) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID53320117
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCCC1COc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C24H26N2O3/c1-25-14-5-8-21(25)18-29-22-11-9-20(10-12-22)26-15-13-23(16-24(26)27)28-17-19-6-3-2-4-7-19/h2-4,6-7,9-13,15-16,21H,5,8,14,17-18H2,1H3
InChIKeyJTXZPQNLRJKZDT-UHFFFAOYSA-N
XLogP3.89
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10246762
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1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
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2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide
CID 4883620
3-[Benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2839652
1,2-Dihydro-N-methyl-4-(4-phenoxybutoxy)quinolin-2-one
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3-Phenyl-5-(p-tolyloxymethyl)oxazolidin-2-one
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CID 730643
(S)-N-{1-[(R)-1-(4-Benzyloxy-phenyl)-2-oxo-pyrrolidin-3-yl]-ethyl}-N-hydroxy-formamide
CID 9950475

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one (CID 53320117) is 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one is CN1CCCC1COc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is JTXZPQNLRJKZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-25-14-5-8-21(25)18-29-22-11-9-20(10-12-22)26-15-13-23(16-24(26)27)28-17-19-6-3-2-4-7-19/h2-4,6-7,9-13,15-16,21H,5,8,14,17-18H2,1H3.
What are the key properties of 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 390.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 53320117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).