2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

C19H28N2O3 — CID 94820338

IUPAC2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COCCOc1ccccc1)N1CCC[C@@H]1CN1CCCC1
InChIInChI=1S/C19H28N2O3/c22-19(16-23-13-14-24-18-8-2-1-3-9-18)21-12-6-7-17(21)15-20-10-4-5-11-20/h1-3,8-9,17H,4-7,10-16H2/t17-/m1/s1
InChIKeyHSEZSTKSVJBKMP-QGZVFWFLSA-N
MW332.44 g/mol
LogP2.17
Rot. Bonds8

About 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 94820338) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID94820338
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COCCOc1ccccc1)N1CCC[C@@H]1CN1CCCC1
InChIInChI=1S/C19H28N2O3/c22-19(16-23-13-14-24-18-8-2-1-3-9-18)21-12-6-7-17(21)15-20-10-4-5-11-20/h1-3,8-9,17H,4-7,10-16H2/t17-/m1/s1
InChIKeyHSEZSTKSVJBKMP-QGZVFWFLSA-N
XLogP2.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-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

2-phenylmethoxy-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 94819194
[4-(2-phenoxyethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11960131
2-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl benzoate
CID 150165105
2-phenoxy-1-[3-(pyrrolidin-1-ylmethyl)-1,4-thiazepan-4-yl]ethanone
CID 90568472
1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 119166059
(3R)-2,3-dihydroxy-4-oxo-N-(2-phenoxyethyl)-4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide
CID 143478481
1-[2-(chloromethyl)azepan-1-yl]-2-phenoxyethanone
CID 116639088
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 80676124
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 71905949
1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 94820338) is 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone is O=C(COCCOc1ccccc1)N1CCC[C@@H]1CN1CCCC1.
What is the InChIKey of 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is HSEZSTKSVJBKMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-19(16-23-13-14-24-18-8-2-1-3-9-18)21-12-6-7-17(21)15-20-10-4-5-11-20/h1-3,8-9,17H,4-7,10-16H2/t17-/m1/s1.
What are the key properties of 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 332.44 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94820338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).