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

C22H26N2O2 — CID 68811142

IUPAC[4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
SMILESCc1cccc(Oc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)c1
InChIInChI=1S/C22H26N2O2/c1-16-4-2-5-20(14-16)26-19-9-7-17(8-10-19)22(25)21-6-3-13-24(21)18-11-12-23-15-18/h2,4-5,7-10,14,18,21,23H,3,6,11-13,15H2,1H3
InChIKeyVOHXQEVDMILXPF-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.80
Rot. Bonds5

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

[4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone (PubChem CID 68811142) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
PubChem CID68811142
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
SMILESCc1cccc(Oc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)c1
InChIInChI=1S/C22H26N2O2/c1-16-4-2-5-20(14-16)26-19-9-7-17(8-10-19)22(25)21-6-3-13-24(21)18-11-12-23-15-18/h2,4-5,7-10,14,18,21,23H,3,6,11-13,15H2,1H3
InChIKeyVOHXQEVDMILXPF-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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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone (CID 68811142) is [4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone is Cc1cccc(Oc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)c1.
What is the InChIKey of [4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The InChIKey is VOHXQEVDMILXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-4-2-5-20(14-16)26-19-9-7-17(8-10-19)22(25)21-6-3-13-24(21)18-11-12-23-15-18/h2,4-5,7-10,14,18,21,23H,3,6,11-13,15H2,1H3.
What are the key properties of [4-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
[4-(3-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-(3-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 68811142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).