(3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C21H26N2O3 — CID 45255021

IUPAC(3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOC[C@@H](Nc1ccccc1)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H26N2O3/c1-25-15-20(22-17-6-4-3-5-7-17)19-12-13-23(21(19)24)14-16-8-10-18(26-2)11-9-16/h3-11,19-20,22H,12-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyNHDJLCFNIFAGHW-WOJBJXKFSA-N
MW354.45 g/mol
LogP3.17
Rot. Bonds8

About (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

(3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 45255021) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID45255021
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOC[C@@H](Nc1ccccc1)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H26N2O3/c1-25-15-20(22-17-6-4-3-5-7-17)19-12-13-23(21(19)24)14-16-8-10-18(26-2)11-9-16/h3-11,19-20,22H,12-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyNHDJLCFNIFAGHW-WOJBJXKFSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119145641
(4aS,9aS)-2-benzyl-7-[(4-methoxyphenyl)methyl]-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one
CID 163143178
3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951734
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11689154
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 87324494
2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 136583669
N-[(3S)-1-[(4-methoxyphenyl)methyl]-2-oxoazepan-3-yl]formamide
CID 87870078

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 45255021) is (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COC[C@@H](Nc1ccccc1)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is NHDJLCFNIFAGHW-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-15-20(22-17-6-4-3-5-7-17)19-12-13-23(21(19)24)14-16-8-10-18(26-2)11-9-16/h3-11,19-20,22H,12-15H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
(3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 354.45 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-anilino-2-methoxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 45255021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).