(4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one

C22H27NO3 — CID 67490855

IUPAC(4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@](CCO)(COCc2ccccc2)CC1=O
InChIInChI=1S/C22H27NO3/c1-18(20-10-6-3-7-11-20)23-16-22(12-13-24,14-21(23)25)17-26-15-19-8-4-2-5-9-19/h2-11,18,24H,12-17H2,1H3/t18-,22-/m1/s1
InChIKeyKKOHFSREVAFIBM-XMSQKQJNSA-N
MW353.46 g/mol
LogP3.57
Rot. Bonds8

About (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one

(4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one (PubChem CID 67490855) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one
PubChem CID67490855
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@](CCO)(COCc2ccccc2)CC1=O
InChIInChI=1S/C22H27NO3/c1-18(20-10-6-3-7-11-20)23-16-22(12-13-24,14-21(23)25)17-26-15-19-8-4-2-5-9-19/h2-11,18,24H,12-17H2,1H3/t18-,22-/m1/s1
InChIKeyKKOHFSREVAFIBM-XMSQKQJNSA-N
XLogP3.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2-bromoethyl)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 67490858
(4R)-4-(methoxymethyl)-1-[(1R)-1-phenylethyl]-4-prop-2-enylpyrrolidin-2-one
CID 67490961
tert-butyl (3S)-3-(3-hydroxypropyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 67491012
(3S)-N-benzyl-3-(fluoromethyl)-N-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 54176069
tert-butyl 5-oxo-1-[(1R)-1-phenylethyl]-2-(phenylmethoxymethyl)-3-prop-2-enylpyrrolidine-3-carboxylate
CID 142700775
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
CID 15473516
2,2-dimethyl-4-(1-phenylethyl)-1,4-diazepan-5-one
CID 117023656
benzyl (5S,6R)-5-hydroxy-6-methyl-4-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinane-1-carboxylate
CID 11079116
(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 16658207
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one (CID 67490855) is (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one is C[C@H](c1ccccc1)N1C[C@](CCO)(COCc2ccccc2)CC1=O.
What is the InChIKey of (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one?
The InChIKey is KKOHFSREVAFIBM-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H27NO3/c1-18(20-10-6-3-7-11-20)23-16-22(12-13-24,14-21(23)25)17-26-15-19-8-4-2-5-9-19/h2-11,18,24H,12-17H2,1H3/t18-,22-/m1/s1.
What are the key properties of (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one?
(4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one has a molecular weight of 353.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 67490855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).