N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide

C20H22N2O5 — CID 9468098

IUPACN'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESC=CCOc1ccc(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C20H22N2O5/c1-5-10-26-17-8-6-15(12-18(17)25-4)7-9-19(23)21-22-20(24)16-11-13(2)27-14(16)3/h5-9,11-12H,1,10H2,2-4H3,(H,21,23)(H,22,24)/b9-7+
InChIKeyCKLSYMUZDQSITC-VQHVLOKHSA-N
MW370.41 g/mol
LogP2.94
Rot. Bonds7

About N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9468098) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9468098
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESC=CCOc1ccc(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C20H22N2O5/c1-5-10-26-17-8-6-15(12-18(17)25-4)7-9-19(23)21-22-20(24)16-11-13(2)27-14(16)3/h5-9,11-12H,1,10H2,2-4H3,(H,21,23)(H,22,24)/b9-7+
InChIKeyCKLSYMUZDQSITC-VQHVLOKHSA-N
XLogP2.94
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]furan-2-carbohydrazide
CID 9476514
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
CID 6232483
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715711
(E)-3-(3,4-dimethoxyphenyl)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6233416
(E)-N-(2-hydroxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 78783486
N'-[3-(4-methoxyphenyl)prop-2-enoyl]-2-prop-2-enoxybenzohydrazide
CID 4929146
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 40723054
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 46461482
1-(4-fluorophenyl)-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]thiourea
CID 9469345
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611
(E)-N-(3,5-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9096622
(E)-N-(3-acetamidophenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26103193

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 9468098) is N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is C=CCOc1ccc(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is CKLSYMUZDQSITC-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-5-10-26-17-8-6-15(12-18(17)25-4)7-9-19(23)21-22-20(24)16-11-13(2)27-14(16)3/h5-9,11-12H,1,10H2,2-4H3,(H,21,23)(H,22,24)/b9-7+.
What are the key properties of N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 370.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9468098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).