2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

C19H28N2O3 — CID 110020447

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CN2CCC(C(C)O)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-14(22)16-9-11-20(12-16)13-19(23)21-10-3-4-18(21)15-5-7-17(24-2)8-6-15/h5-8,14,16,18,22H,3-4,9-13H2,1-2H3
InChIKeyMSSQIWLWAPXQRR-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.06
Rot. Bonds5

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 110020447) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID110020447
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CN2CCC(C(C)O)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-14(22)16-9-11-20(12-16)13-19(23)21-10-3-4-18(21)15-5-7-17(24-2)8-6-15/h5-8,14,16,18,22H,3-4,9-13H2,1-2H3
InChIKeyMSSQIWLWAPXQRR-UHFFFAOYSA-N
XLogP2.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 112626490
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
3-cyclopentyl-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 95575791
2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]acetic acid
CID 61327670
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110899355
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46635876
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60936893
1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 95042438

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone (CID 110020447) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone is COc1ccc(C2CCCN2C(=O)CN2CCC(C(C)O)C2)cc1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is MSSQIWLWAPXQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(22)16-9-11-20(12-16)13-19(23)21-10-3-4-18(21)15-5-7-17(24-2)8-6-15/h5-8,14,16,18,22H,3-4,9-13H2,1-2H3.
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 332.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110020447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).