3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C16H24NO5P — CID 87324494

IUPAC3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCOP(=O)(OCC)C1CCN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H24NO5P/c1-4-21-23(19,22-5-2)15-10-11-17(16(15)18)12-13-6-8-14(20-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyAVFSXQOEAJOEIN-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.06
Rot. Bonds8

About 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 87324494) has the molecular formula C16H24NO5P and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID87324494
Molecular FormulaC16H24NO5P
Molecular Weight341.34 g/mol
Exact Mass341.14
IUPAC Name3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCOP(=O)(OCC)C1CCN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H24NO5P/c1-4-21-23(19,22-5-2)15-10-11-17(16(15)18)12-13-6-8-14(20-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyAVFSXQOEAJOEIN-UHFFFAOYSA-N
XLogP3.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
(3S,4R)-4-diethoxyphosphoryl-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 13456103
3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119145641
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 136583669
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11689154
1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217160
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
N-[(3S)-1-[(4-methoxyphenyl)methyl]-2-oxoazepan-3-yl]formamide
CID 87870078
(3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45255021
4-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]sulfanyl-5-methyl-1,3-diazinan-2-one
CID 171647067

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 87324494) is 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is CCOP(=O)(OCC)C1CCN(Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is AVFSXQOEAJOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO5P/c1-4-21-23(19,22-5-2)15-10-11-17(16(15)18)12-13-6-8-14(20-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 341.34 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 87324494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).