[4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone

C22H26N2O2 — CID 69324715

IUPAC[4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
SMILESCc1ccccc1Oc1ccc(C(=O)C2CCCN2C2CCNC2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-5-2-3-7-21(16)26-19-10-8-17(9-11-19)22(25)20-6-4-14-24(20)18-12-13-23-15-18/h2-3,5,7-11,18,20,23H,4,6,12-15H2,1H3
InChIKeyWYGRTPFRHPHJKI-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.80
Rot. Bonds5

About [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone

[4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone (PubChem CID 69324715) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
PubChem CID69324715
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
SMILESCc1ccccc1Oc1ccc(C(=O)C2CCCN2C2CCNC2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-5-2-3-7-21(16)26-19-10-8-17(9-11-19)22(25)20-6-4-14-24(20)18-12-13-23-15-18/h2-3,5,7-11,18,20,23H,4,6,12-15H2,1H3
InChIKeyWYGRTPFRHPHJKI-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
CID 68811963
[4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
CID 68811142
(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559689
(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559771
(4-indazol-1-ylphenyl)-[1-[(3S)-pyrrolidin-3-yl]pyrrolidin-2-yl]methanone
CID 67171780
[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
CID 69192210
(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559770
ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate
CID 57072792
4-(2-methylphenoxy)benzenecarbothioamide
CID 20985850
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
CID 116559712
ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate
CID 19772086
1-[4-(2-methylphenoxy)phenyl]pyrrolidine
CID 168515858

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone (CID 69324715) is [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone is Cc1ccccc1Oc1ccc(C(=O)C2CCCN2C2CCNC2)cc1.
What is the InChIKey of [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The InChIKey is WYGRTPFRHPHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-5-2-3-7-21(16)26-19-10-8-17(9-11-19)22(25)20-6-4-14-24(20)18-12-13-23-15-18/h2-3,5,7-11,18,20,23H,4,6,12-15H2,1H3.
What are the key properties of [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
[4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone has a molecular weight of 350.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 69324715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).