2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid

C23H23NO5 — CID 90784667

IUPAC2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid
SMILESCC=C(NOCCOc1cccc(CC(=O)O)c1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C23H23NO5/c1-2-20(22-12-11-21(29-22)18-8-4-3-5-9-18)24-28-14-13-27-19-10-6-7-17(15-19)16-23(25)26/h2-12,15,24H,13-14,16H2,1H3,(H,25,26)
InChIKeyGTRNAGJWDPAIGR-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.53
Rot. Bonds10

About 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid

2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid (PubChem CID 90784667) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid
PubChem CID90784667
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid
SMILESCC=C(NOCCOc1cccc(CC(=O)O)c1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C23H23NO5/c1-2-20(22-12-11-21(29-22)18-8-4-3-5-9-18)24-28-14-13-27-19-10-6-7-17(15-19)16-23(25)26/h2-12,15,24H,13-14,16H2,1H3,(H,25,26)
InChIKeyGTRNAGJWDPAIGR-UHFFFAOYSA-N
XLogP4.53
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid (CID 90784667) is 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid is CC=C(NOCCOc1cccc(CC(=O)O)c1)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid?
The InChIKey is GTRNAGJWDPAIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-2-20(22-12-11-21(29-22)18-8-4-3-5-9-18)24-28-14-13-27-19-10-6-7-17(15-19)16-23(25)26/h2-12,15,24H,13-14,16H2,1H3,(H,25,26).
What are the key properties of 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid?
2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid has a molecular weight of 393.44 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[1-(5-phenylfuran-2-yl)prop-1-enylamino]oxyethoxy]phenyl]acetic acid is sourced from PubChem (CID 90784667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).