2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone

C20H23NO3 — CID 159433651

IUPAC2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone
SMILESCCc1ccc(OCC(=O)N2CC[C@H](Oc3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO3/c1-2-16-8-10-17(11-9-16)23-15-20(22)21-13-12-19(14-21)24-18-6-4-3-5-7-18/h3-11,19H,2,12-15H2,1H3/t19-/m0/s1
InChIKeyUKBVFJRXDGMKLT-IBGZPJMESA-N
MW325.41 g/mol
LogP3.31
Rot. Bonds6

About 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone

2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone (PubChem CID 159433651) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone
PubChem CID159433651
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone
SMILESCCc1ccc(OCC(=O)N2CC[C@H](Oc3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO3/c1-2-16-8-10-17(11-9-16)23-15-20(22)21-13-12-19(14-21)24-18-6-4-3-5-7-18/h3-11,19H,2,12-15H2,1H3/t19-/m0/s1
InChIKeyUKBVFJRXDGMKLT-IBGZPJMESA-N
XLogP3.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone 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

1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
ethane;2-[4-(hydroxymethyl)phenoxy]-1-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethanone;propane
CID 145415545
2-(4-ethylphenoxy)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone;2-(4-ethylphenoxy)-1-[(3S)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethanone;methane;2-methoxyphenol
CID 158617994
1-[3-(4-benzylphenoxy)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 142479915
2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530186
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
2-[4-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125441615
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119517242
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone (CID 159433651) is 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone is CCc1ccc(OCC(=O)N2CC[C@H](Oc3ccccc3)C2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone?
The InChIKey is UKBVFJRXDGMKLT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-16-8-10-17(11-9-16)23-15-20(22)21-13-12-19(14-21)24-18-6-4-3-5-7-18/h3-11,19H,2,12-15H2,1H3/t19-/m0/s1.
What are the key properties of 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone?
2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 159433651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).