[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

C18H21NO4 — CID 892182

IUPAC[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C18H21NO4/c1-2-21-14-5-7-15(8-6-14)22-13-16-9-10-17(23-16)18(20)19-11-3-4-12-19/h5-10H,2-4,11-13H2,1H3
InChIKeyWDEZNFJZKYTHTH-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.49
Rot. Bonds6

About [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 892182) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID892182
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C18H21NO4/c1-2-21-14-5-7-15(8-6-14)22-13-16-9-10-17(23-16)18(20)19-11-3-4-12-19/h5-10H,2-4,11-13H2,1H3
InChIKeyWDEZNFJZKYTHTH-UHFFFAOYSA-N
XLogP3.49
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 892182) is [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is CCOc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1.
What is the InChIKey of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WDEZNFJZKYTHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-21-14-5-7-15(8-6-14)22-13-16-9-10-17(23-16)18(20)19-11-3-4-12-19/h5-10H,2-4,11-13H2,1H3.
What are the key properties of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 315.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 892182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).