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

C17H18N2O4 — CID 7478965

IUPACN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C17H18N2O4/c1-11-9-15(12(2)23-11)17(21)19-18-16(20)8-7-13-5-4-6-14(10-13)22-3/h4-10H,1-3H3,(H,18,20)(H,19,21)/b8-7+
InChIKeySVOZMCMZHQPXOQ-BQYQJAHWSA-N
MW314.34 g/mol
LogP2.38
Rot. Bonds4

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

N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 7478965) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID7478965
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C17H18N2O4/c1-11-9-15(12(2)23-11)17(21)19-18-16(20)8-7-13-5-4-6-14(10-13)22-3/h4-10H,1-3H3,(H,18,20)(H,19,21)/b8-7+
InChIKeySVOZMCMZHQPXOQ-BQYQJAHWSA-N
XLogP2.38
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 7478965) is N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is COc1cccc(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is SVOZMCMZHQPXOQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-9-15(12(2)23-11)17(21)19-18-16(20)8-7-13-5-4-6-14(10-13)22-3/h4-10H,1-3H3,(H,18,20)(H,19,21)/b8-7+.
What are the key properties of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 314.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 7478965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).