[3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone

C20H23NO3 — CID 893055

IUPAC[3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C20H23NO3/c1-2-23-18-8-10-19(11-9-18)24-15-16-6-5-7-17(14-16)20(22)21-12-3-4-13-21/h5-11,14H,2-4,12-13,15H2,1H3
InChIKeyAEQYVHYCWKXLME-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.90
Rot. Bonds6

About [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone

[3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 893055) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID893055
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C20H23NO3/c1-2-23-18-8-10-19(11-9-18)24-15-16-6-5-7-17(14-16)20(22)21-12-3-4-13-21/h5-11,14H,2-4,12-13,15H2,1H3
InChIKeyAEQYVHYCWKXLME-UHFFFAOYSA-N
XLogP3.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 893055) is [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone is CCOc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is AEQYVHYCWKXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-23-18-8-10-19(11-9-18)24-15-16-6-5-7-17(14-16)20(22)21-12-3-4-13-21/h5-11,14H,2-4,12-13,15H2,1H3.
What are the key properties of [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 325.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethoxyphenoxy)methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 893055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).