[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

C19H20N2O7 — CID 8527703

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C19H20N2O7/c1-3-5-13-7-8-14(16(10-13)25-2)27-12-18(23)28-11-17(22)20-21-19(24)15-6-4-9-26-15/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,24)/b5-3+
InChIKeyQFAKXVSRNWLCMC-HWKANZROSA-N
MW388.38 g/mol
LogP1.70
Rot. Bonds8

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (PubChem CID 8527703) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
PubChem CID8527703
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C19H20N2O7/c1-3-5-13-7-8-14(16(10-13)25-2)27-12-18(23)28-11-17(22)20-21-19(24)15-6-4-9-26-15/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,24)/b5-3+
InChIKeyQFAKXVSRNWLCMC-HWKANZROSA-N
XLogP1.70
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-benzamido-2-oxoethyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527714
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527680
N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide
CID 9476514
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate
CID 9063759
[2-(2-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907900
[2-(4-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907929
5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide
CID 24636112
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 30034039
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907755
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981951
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907923
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 31127487

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (CID 8527703) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is C/C=C/c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The InChIKey is QFAKXVSRNWLCMC-HWKANZROSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-3-5-13-7-8-14(16(10-13)25-2)27-12-18(23)28-11-17(22)20-21-19(24)15-6-4-9-26-15/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,24)/b5-3+.
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate has a molecular weight of 388.38 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 8527703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).