4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one

C20H23NO3 — CID 141070353

IUPAC4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)c(OCCCc2ccccc2)c1
InChIInChI=1S/C20H23NO3/c1-23-17-9-10-18(16-12-20(22)21-14-16)19(13-17)24-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,16H,5,8,11-12,14H2,1H3,(H,21,22)
InChIKeyGRTXPSPZRRYULK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.31
Rot. Bonds7

About 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one

4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one (PubChem CID 141070353) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
PubChem CID141070353
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)c(OCCCc2ccccc2)c1
InChIInChI=1S/C20H23NO3/c1-23-17-9-10-18(16-12-20(22)21-14-16)19(13-17)24-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,16H,5,8,11-12,14H2,1H3,(H,21,22)
InChIKeyGRTXPSPZRRYULK-UHFFFAOYSA-N
XLogP3.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
4-methoxy-2-(3-phenylpropoxy)benzonitrile
CID 22685905
[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989
4-methoxy-2-(2-phenylethoxy)benzonitrile
CID 20986806
4-[3-(2-chloroethoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 23345044
(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 139636777
8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 102581392
4-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
CID 15110932
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
CID 14529704
2-phenylethyl (4S)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1092138

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one (CID 141070353) is 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one is COc1ccc(C2CNC(=O)C2)c(OCCCc2ccccc2)c1.
What is the InChIKey of 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one?
The InChIKey is GRTXPSPZRRYULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-17-9-10-18(16-12-20(22)21-14-16)19(13-17)24-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,16H,5,8,11-12,14H2,1H3,(H,21,22).
What are the key properties of 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one?
4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one has a molecular weight of 325.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 141070353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).