N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide

C21H26N2O2 — CID 18678308

IUPACN-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O2/c1-17(24)22-20-11-12-23(16-20)13-14-25-21-9-7-19(8-10-21)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24)
InChIKeyFQRYPANAYGMBGT-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.87
Rot. Bonds7

About N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide

N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 18678308) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID18678308
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O2/c1-17(24)22-20-11-12-23(16-20)13-14-25-21-9-7-19(8-10-21)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24)
InChIKeyFQRYPANAYGMBGT-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide (CID 18678308) is N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1.
What is the InChIKey of N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is FQRYPANAYGMBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17(24)22-20-11-12-23(16-20)13-14-25-21-9-7-19(8-10-21)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24).
What are the key properties of N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide?
N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-benzylphenoxy)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 18678308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).