N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide

C18H20N2O5 — CID 2715711

IUPACN'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C18H20N2O5/c1-11-9-15(12(2)25-11)18(22)20-19-17(21)8-5-13-10-14(23-3)6-7-16(13)24-4/h5-10H,1-4H3,(H,19,21)(H,20,22)/b8-5+
InChIKeyWVZVXWWUYOLTKU-VMPITWQZSA-N
MW344.37 g/mol
LogP2.39
Rot. Bonds5

About N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 2715711) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID2715711
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C18H20N2O5/c1-11-9-15(12(2)25-11)18(22)20-19-17(21)8-5-13-10-14(23-3)6-7-16(13)24-4/h5-10H,1-4H3,(H,19,21)(H,20,22)/b8-5+
InChIKeyWVZVXWWUYOLTKU-VMPITWQZSA-N
XLogP2.39
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 40723054
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 2672384
N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468098
N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 25394281
(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 19167688
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760422
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 2715711) is N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is WVZVXWWUYOLTKU-VMPITWQZSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-9-15(12(2)25-11)18(22)20-19-17(21)8-5-13-10-14(23-3)6-7-16(13)24-4/h5-10H,1-4H3,(H,19,21)(H,20,22)/b8-5+.
What are the key properties of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 344.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 2715711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).