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

C27H30N2O3 — CID 71460455

IUPAC2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C27H30N2O3/c1-2-31-26-14-7-6-13-25(26)27(30)28-23-15-16-29(20-23)17-18-32-24-12-8-11-22(19-24)21-9-4-3-5-10-21/h3-14,19,23H,2,15-18,20H2,1H3,(H,28,30)
InChIKeyNQDBGYUMMABVHZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.64
Rot. Bonds9

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

2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 71460455) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
PubChem CID71460455
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C27H30N2O3/c1-2-31-26-14-7-6-13-25(26)27(30)28-23-15-16-29(20-23)17-18-32-24-12-8-11-22(19-24)21-9-4-3-5-10-21/h3-14,19,23H,2,15-18,20H2,1H3,(H,28,30)
InChIKeyNQDBGYUMMABVHZ-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-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (CID 71460455) is 2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is NQDBGYUMMABVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-2-31-26-14-7-6-13-25(26)27(30)28-23-15-16-29(20-23)17-18-32-24-12-8-11-22(19-24)21-9-4-3-5-10-21/h3-14,19,23H,2,15-18,20H2,1H3,(H,28,30).
What are the key properties of 2-ethoxy-N-[1-[2-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
2-ethoxy-N-[1-[2-(3-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-(3-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71460455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).