(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C22H24N2O3 — CID 97277699

IUPAC(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCCc1ccccc1OC1CN(C(=O)[C@@H]2CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C22H24N2O3/c1-2-16-8-6-7-11-20(16)27-18-14-23(15-18)21(25)19-12-13-24(22(19)26)17-9-4-3-5-10-17/h3-11,18-19H,2,12-15H2,1H3/t19-/m0/s1
InChIKeyFWKHAAMVASXTOA-IBGZPJMESA-N
MW364.45 g/mol
LogP2.89
Rot. Bonds5

About (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one

(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 97277699) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID97277699
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCCc1ccccc1OC1CN(C(=O)[C@@H]2CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C22H24N2O3/c1-2-16-8-6-7-11-20(16)27-18-14-23(15-18)21(25)19-12-13-24(22(19)26)17-9-4-3-5-10-17/h3-11,18-19H,2,12-15H2,1H3/t19-/m0/s1
InChIKeyFWKHAAMVASXTOA-IBGZPJMESA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 45227938
N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20964176
(5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one
CID 97189362
(3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 134081054
(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
CID 72866935
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97209081
(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 25452099
(3S)-3-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 25369435
4-[3-(2-ethylphenoxy)azetidin-1-yl]piperidine
CID 56708998
1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70723771
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 97277699) is (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is CCc1ccccc1OC1CN(C(=O)[C@@H]2CCN(c3ccccc3)C2=O)C1.
What is the InChIKey of (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is FWKHAAMVASXTOA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-16-8-6-7-11-20(16)27-18-14-23(15-18)21(25)19-12-13-24(22(19)26)17-9-4-3-5-10-17/h3-11,18-19H,2,12-15H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 97277699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).