2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide

C26H28N2O2 — CID 71458624

IUPAC2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C26H28N2O2/c1-20-9-5-6-12-23(20)26(29)27-22-15-16-28(19-22)17-18-30-25-14-8-7-13-24(25)21-10-3-2-4-11-21/h2-14,22H,15-19H2,1H3,(H,27,29)
InChIKeyPBBXMRSAGQVCLG-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.55
Rot. Bonds7

About 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide

2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 71458624) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
PubChem CID71458624
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C26H28N2O2/c1-20-9-5-6-12-23(20)26(29)27-22-15-16-28(19-22)17-18-30-25-14-8-7-13-24(25)21-10-3-2-4-11-21/h2-14,22H,15-19H2,1H3,(H,27,29)
InChIKeyPBBXMRSAGQVCLG-UHFFFAOYSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (CID 71458624) is 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is PBBXMRSAGQVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-20-9-5-6-12-23(20)26(29)27-22-15-16-28(19-22)17-18-30-25-14-8-7-13-24(25)21-10-3-2-4-11-21/h2-14,22H,15-19H2,1H3,(H,27,29).
What are the key properties of 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 400.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71458624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).