2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid

C15H13NO5 — CID 77004994

IUPAC2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C15H13NO5/c17-14(8-7-11-4-3-9-20-11)16-12-5-1-2-6-13(12)21-10-15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyQWIKPBKERQCLGK-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.39
Rot. Bonds6

About 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid

2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid (PubChem CID 77004994) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid
PubChem CID77004994
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C15H13NO5/c17-14(8-7-11-4-3-9-20-11)16-12-5-1-2-6-13(12)21-10-15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyQWIKPBKERQCLGK-UHFFFAOYSA-N
XLogP2.39
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2668862
2-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-methylphenoxy]acetic acid
CID 17362080
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 26764102
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
2-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]phenoxy]acetic acid
CID 55242457
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 72687447
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid (CID 77004994) is 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)C=Cc1ccco1.
What is the InChIKey of 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid?
The InChIKey is QWIKPBKERQCLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c17-14(8-7-11-4-3-9-20-11)16-12-5-1-2-6-13(12)21-10-15(18)19/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid?
2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid has a molecular weight of 287.27 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid is sourced from PubChem (CID 77004994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).