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

C27H30N2O3 — CID 71456770

IUPAC2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C27H30N2O3/c1-2-31-26-15-9-7-13-24(26)27(30)28-22-16-17-29(20-22)18-19-32-25-14-8-6-12-23(25)21-10-4-3-5-11-21/h3-15,22H,2,16-20H2,1H3,(H,28,30)
InChIKeyOEDUGORPKTWVRC-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.64
Rot. Bonds9

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

2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 71456770) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
PubChem CID71456770
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C27H30N2O3/c1-2-31-26-15-9-7-13-24(26)27(30)28-22-16-17-29(20-22)18-19-32-25-14-8-6-12-23(25)21-10-4-3-5-11-21/h3-15,22H,2,16-20H2,1H3,(H,28,30)
InChIKeyOEDUGORPKTWVRC-UHFFFAOYSA-N
XLogP4.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (CID 71456770) is 2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1.
What is the InChIKey of 2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is OEDUGORPKTWVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-2-31-26-15-9-7-13-24(26)27(30)28-22-16-17-29(20-22)18-19-32-25-14-8-6-12-23(25)21-10-4-3-5-11-21/h3-15,22H,2,16-20H2,1H3,(H,28,30).
What are the key properties of 2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71456770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).